Labelling Of Chemicals Research Articles

UN-GHS — Physical hazard classifications of chemicals: A critical review of combinations of hazard classes

One of the fundamental principles of the UN-GHS (Globally Harmonized System of Classification and Labelling of Chemicals) is that all hazards of a chemical should be assigned and communicated. There is no general prioritization of hazards in the sense that certain hazard classes are not applicable if another one has been assigned. In contrast to health and environmental hazards, there are physical or chemical factors which preclude certain combinations of physical hazard classes. So far, there is no common understanding as to which combinations are relevant and which not. For example, should a pyrophoric liquid be classified as flammable liquid in addition, or is this redundant and unnecessary? In the course of the implementation of the GHS by countries or sectors and the actual application by industry all over the world, such questions become more and more important. This publication systematically discusses all combinations of the UN-GHS physical hazard classes and assesses them with regard to the relevance of possible simultaneous assignment to a chemical. For many of the combinations an unambiguous decision based on the GHS alone is not possible, thus confirming that the question which physical hazard classes might be assigned simultaneously to a chemical is not trivial. As one more milestone on the path to a globally harmonized system for the classification of hazardous chemicals, this should be discussed and ultimately solved on a global basis. It is the hope that this publication might serve as an impetus for such discussions.

A Method for Assessing Greener Alternatives between Chemical Products Following the 12 Principles of Green Chemistry

Companies are interested in improving chemicals to reduce environmental impacts, also known as green chemistry. The 12 principles of green chemistry outline a framework for identifying a greener chemical or process, spanning aspects in health hazard, ecological risk, and resource efficiency across a product lifecycle. However, that framework does not detail how to measure performance. Furthermore, collecting the data required, beyond simple health hazard ratings, is resource intensive. This paper describes an approach for establishing green chemistry metrics (GCM), to evaluate chemicals and chemical processes against the 12 principles, using readily available data, such as the data compiled in compliance with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). Using the GCM, chemicals or processes can be ranked by a hierarchy of metrics: (1) scores for each of the 12 principles, (2) three category rankings between new and improved chemicals/processes (improved resource use, i...

Synthesis and Ignition Properties Research of 1,5-Diazabicyclo[3.1.0]Hexane Type Compounds as Potential Green Hypergolic Propellants

1,5-Diazabicyclo[3.1.0]hexane type compounds (DABHCs) were found as promising liquid hypergolic compounds. The synthesis process and purification of DABHCs, 1,5-diazabicyclo[3.1.0]hexane (DABH), 6-methyl-1,5-diazabicyclo[3.1.0]hexane (MDABH), 6-ethyl-1,5-diazabicyclo[3.1.0]hexane (EDABH), and 6,6-dimethyl-1,5-diazabicyclo[3.1.0]hexane (DDABH) were optimized. The densities of DABHCs were over 1.0 g/mL, and the viscosities of DABHCs were about 2.40–2.63 mPa·s. The boiling points of DABHCs exhibited that they were less volatile, and the freezing points of DABHCs varied considerably for different alkylation. The LD50 predicted values of DABHCs were within 1605.62–4865.43 mg/kg, which demonstrated that DABHCs were grade IV, slightly poisonous, or grade V, nontoxic, compounds according to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). In addition, the heats of formation of DABHCs were calculated as 129.2–276.2 kJ/mol, higher than those of monomethyl hydrazine, unsymmetrical di...

A quantitative in silico model for predicting skin sensitization using a nearest neighbours approach within expert-derived structure-activity alert spaces.

Dermal contact with chemicals may lead to an inflammatory reaction known as allergic contact dermatitis. Consequently, it is important to assess new and existing chemicals for their skin sensitizing potential and to mitigate exposure accordingly. There is an urgent need to develop quantitative non-animal methods to better predict the potency of potential sensitizers, driven largely by European Union (EU) Regulation 1223/2009, which forbids the use of animal tests for cosmetic ingredients sold in the EU. A Nearest Neighbours in silico model was developed using an in-house dataset of 1096 murine local lymph node (LLNA) studies. The EC3 value (the effective concentration of the test substance producing a threefold increase in the stimulation index compared to controls) of a given chemical was predicted using the weighted average of EC3 values of up to 10 most similar compounds within the same mechanistic space (as defined by activating the same Derek skin sensitization alert). The model was validated using previously unseen internal (n = 45) and external (n = 103) data and accuracy of predictions assessed using a threefold error, fivefold error, European Centre for Ecotoxicology and Toxicology of Chemicals (ECETOC) and Globally Harmonized System of Classification and Labelling of Chemicals (GHS) classifications. In particular, the model predicts the GHS skin sensitization category of compounds well, predicting 64% of chemicals in an external test set within the correct category. Of the remaining chemicals in the previously unseen dataset, 25% were over-predicted (GHS 1A predicted: GHS 1B experimentally) and 11% were under-predicted (GHS 1B predicted: GHS 1A experimentally). Copyright © 2017 John Wiley & Sons, Ltd.

Chemical group attacks cancer agency reports

The American Chemistry Council, the U.S. chemical industry’s main trade group, has launched the Campaign for Accuracy in Public Health Research to attack the credibility of reports on chemicals from the International Agency for Research on Cancer. The trade group claims that the agency, which operates under the World Health Organization, suffers from persistent scientific and process deficiencies that result in public confusion and misinformed policy-making. The IARC counters that the charges are wrong and misleading. The report, or monograph, that ACC most criticizes is the one concluding that the herbicide glyphosate, invented by Monsanto, is a probable carcinogen. But the group is also critical of IARC’s carcinogenic labeling of other chemicals. Those determinations are used, for instance, to place warnings on consumer products under California’s Proposition 65, “despite an often infinitesimal risk of developing cancer as a result of products’ proper use,” ACC says. “The IARC Monographs Program has

Fundamental studies on tribolayers created by lubricating pastes with new additive packages

PurposeThe purpose of this paper, an R&D project, is to select Globally Harmonized System of Classification and Labeling of Chemicals (GHS)-unclassified white solid lubricants for formulating special lubricating oils, greases and pastes to prevent tribological systems against fretting wear.Design/methodology/approachThe scientific methodology reads as follows: market research to select appropriate additives according to the purpose of the R&D project; screening tests to determine the technical performance of the additives; advanced technical studies and tests to validate the technical performance of the lubricating additives; determination of the reaction layers; and clarification of the build-up mechanism of the reaction layers (practical tests).FindingsThe findings of the R&D project can be summarized as follows: the selected white solid lubricants perform in lubricating oils, greases and pastes highly effective against fretting wear. The performance could be shown on the basis of representative test results and highlights its advantages compared to the state of the art.Research limitations/implicationsThe research team faced some challenges during the R&D project – the unsuitability of standard test measurements as well as DIN, ISO and ASTM test parameters led to limitations and increased effort.Originality/valueThe motivation and main target to conduct the R&D project was to increase the consumer and operator safety by using unclassified (GHS) high performance lubricants. The findings of the project show clearly that the tasks could be fulfilled. Special, unclassified (GHS) selected white solid lubricants are able to form a reaction layer on metal surfaces and separate effectively the surfaces within the tribological system. No fretting wear accrued. The consumer can gain substantial benefits on the economical side as well as on the ecological side.

Classification of baseline toxicants for QSAR predictions to replace fish acute toxicity studies.

Fish acute toxicity studies are required for environmental hazard and risk assessment of chemicals by national and international legislations such as REACH, the regulations of plant protection products and biocidal products, or the GHS (globally harmonised system) for classification and labelling of chemicals. Alternative methods like QSARs (quantitative structure-activity relationships) can replace many ecotoxicity tests. However, complete substitution of in vivo animal tests by in silico methods may not be realistic. For the so-called baseline toxicants, it is possible to predict the fish acute toxicity with sufficient accuracy from log Kow and, hence, valid QSARs can replace in vivo testing. In contrast, excess toxicants and chemicals not reliably classified as baseline toxicants require further in silico, in vitro or in vivo assessments. Thus, the critical task is to discriminate between baseline and excess toxicants. For fish acute toxicity, we derived a scheme based on structural alerts and physicochemical property thresholds to classify chemicals as either baseline toxicants (=predictable by QSARs) or as potential excess toxicants (=not predictable by baseline QSARs). The step-wise approach identifies baseline toxicants (true negatives) in a precautionary way to avoid false negative predictions. Therefore, a certain fraction of false positives can be tolerated, i.e. baseline toxicants without specific effects that may be tested instead of predicted. Application of the classification scheme to a new heterogeneous dataset for diverse fish species results in 40% baseline toxicants, 24% excess toxicants and 36% compounds not classified. Thus, we can conclude that replacing about half of the fish acute toxicity tests by QSAR predictions is realistic to be achieved in the short-term. The long-term goals are classification criteria also for further groups of toxicants and to replace as many in vivo fish acute toxicity tests as possible with valid QSAR predictions.

Toxicity of individual pharmaceuticals and their mixtures to Aliivibrio fischeri: Experimental results for single compounds and considerations of their mechanisms of action and potential acute effects on aquatic organisms

AbstractIn the first part of a broader study on the effects of individual and multicomponent mixtures of pharmaceutical active compounds, the authors used the Microtox® test system to analyze in detail the effects of 10 widely used human and veterinary pharmaceutical active compounds toward the bioluminescent bacterium Aliivibrio fischeri. The experimental results indicated moderate toxicity for the majority of the tested compounds. Comparison between experimental 50% inhibitory concentrations and those predicted from the quantitative structure–activity relationship models indicated that most of the tested pharmaceutical active compounds behave as polar narcotic compounds toward A. fischeri (only the antibiotic chlortetracycline seemed to have a specific mechanism of action). A comparison between the experimental results and a collection of acute toxicity data on other nontarget organisms indicated that in general A. fischeri has a comparable sensitivity to other aquatic species. However, according to the Globally Harmonized System of Classification and Labelling of Chemicals, the majority of the investigated chemicals can be classified as harmful or nontoxic for aquatic ecosystems. Finally, based on comparisons among the 95th percentile of measured environmental concentrations found in European Union water bodies and acute toxicity data on various aquatic organisms, no risk to aquatic life exists when the tested pharmaceutical active compounds are assessed as individual chemicals. Environ Toxicol Chem 2017;36:807–814. © 2016 SETAC

A quantitative weight of evidence methodology for the assessment of reproductive and developmental toxicity and its application for classification and labeling of chemicals

Hazard assessment of chemicals usually applies narrative assessments with a number of weaknesses. Therefore, application of weight of evidence (WoE) approaches are often mandated but guidance to perform a WoE assessment is lacking. This manuscript describes a quantitative WoE (QWoE) assessment for reproductive toxicity data and its application for classification and labeling (C&L). Because C&L criteria are based on animal studies, the scope is restricted to animal toxicity data. The QWoE methodology utilizes numerical scoring sheets to assess reliability of a publication and the toxicological relevance of reported effects. Scores are given for fourteen quality aspects, best practice receives the highest score. The relevance/effects scores (0 to four) are adjusted to the key elements of the toxic response for the endpoint and include weighting factors for effects on different levels of the biological organization. The relevance/effects scores are then assessed against the criteria dose-response, magnitude and persistence of effects, consistency of observations with the hypothesis, and relation of effects to human disease. The quality/reliability scores and the relevance/effect scores are then multiplied to give a numerical strength of evidence for adverse effects. This total score is then used to assign the chemical to the different classes employed in classification.

A Market-Basket Approach to Predict the Acute Aquatic Toxicity of Munitions and Energetic Materials.

An ongoing challenge in chemical production, including the production of insensitive munitions and energetics, is the ability to make predictions about potential environmental hazards early in the process. To address this challenge, a quantitative structure activity relationship model was developed to predict acute fathead minnow toxicity of insensitive munitions and energetic materials. Computational predictive toxicology models like this one may be used to identify and prioritize environmentally safer materials early in their development. The developed model is based on the Apriori market-basket/frequent itemset mining approach to identify probabilistic prediction rules using chemical atom-pairs and the lethality data for 57 compounds from a fathead minnow acute toxicity assay. Lethality data were discretized into four categories based on the Globally Harmonized System of Classification and Labelling of Chemicals. Apriori identified toxicophores for categories two and three. The model classified 32 of the 57 compounds correctly, with a fivefold cross-validation classification rate of 74 %. A structure-based surrogate approach classified the remaining 25 chemicals correctly at 48 %. This result is unsurprising as these 25 chemicals were fairly unique within the larger set.

The Nano-Sized TiO2 Dispersions for Mass Coloration of Polyimide Fibers

The implementation of nano-sized TiO2 dispersions for mass coloration of polyimide fibers is considered in the paper. Titanium dioxide (TiO2) is not classified as hazardous according to United Nations (UN) Globally Harmonized System of Classification and Labeling of Chemicals (GHS). The stability of TiO2 dispersions in dimethylformamide (DMF) medium in presence of different surfactants as well as the viscosity of poly(amic) acid spinning solutions was investigated. It was illustrated that nano fraction of mineral pigment increase the stability of spinning medium. Moreover, the introduction of 4,5% TiO2 in poly(amic) acid stabilized with 0,24% of surfactant (leukanol) caused the increasing of thermal stability on 10°C in comparison with non-colored fibers. Proposed method enables to get light colours and improve the thermal stability of polyimide fiber. The application of TiO2 in the mass coloration of fibers does not cause dangerous effect on consumer because the pigment is tightly connected with polymer inside fiber structure.

The efficacy of Safety Data Sheets in informing risk based decision making: A review of the aerospace sector

Safety Data Sheets are the primary source of hazard information on chemical substances and mixtures and are used to inform risk assessments. It is imperative to ascertain the quality of this primary source of information in informing risk based decision making. The content of Safety Data Sheets (SDS) is governed by regulatory requirements outlined under the Globally Harmonised System for the Classification and Labelling of Chemicals (GHS). However, regulation in itself does not provide assurance of the quality of the content of the SDS. This study assesses and creates an awareness of the quality of Safety Data Sheets and establishes the criteria for ranking the quality of various sections in the SDS. 200 Safety Data Sheets have been selected from the aerospace sector and assessed for their quality. A review of the 200 SDS has identified significant statistical differences between the various sections of the SDS and the quality of information between hazardous and non-hazardous chemicals. The data analysis suggests a limited impact of GHS and REACH, Annex II Regulations on the overall quality of content of the Safety Data Sheets.

Enhancing the regulatory framework for upstream chemicals management in Malaysia: Some proposals from an academic perspective

In 2009, the Department of Environment (DOE) implemented the Environmentally Hazardous Substances (EHS) Notification and Registration Scheme aimed at strengthening upstream chemicals management by first collecting data on chemicals that are either imported to or manufactured in Malaysia. However, we noticed that this voluntary scheme was developed merely to collect data on chemicals and there is no clear roadmap on how the scheme can promote the regulatory framework for upstream chemicals management. As responsible academics concerned about chemicals management, we took the initiative to analyse the EHS Notification and Registration Scheme, and identified the critical features in the regulatory framework that need to be enhanced. In this paper, we elaborate on the EHS definition, and propose the term Environmentally Hazardous Chemicals (EHC) to replace EHS in the context of chemicals management. The intrinsic properties of the EHC that are in line with the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) have been identified in this paper. We also propose a systematic approach to regulating chemicals which will also be capable of meeting the demands of chemical related conventions such as the Basel, Rotterdam, Stockholm and Minamata Conventions.

Assessment of the eye irritation potential of chemicals: A comparison study between two test methods based on human 3D hemi-cornea models

We have recently developed two hemi-cornea models (Bartok et al., Toxicol in Vitro 29, 72, 2015; Zorn-Kruppa et al. PLoS One 9, e114181, 2014), which allow the correct prediction of eye irritation potential of chemicals according to the United Nations globally harmonized system of classification and labeling of chemicals (UN GHS). Both models comprise a multilayered epithelium and a stroma with embedded keratocytes in a collagenous matrix. These two models were compared, using a set of fourteen test chemicals. Their effects after 10 and 60minutes (min) exposure were assessed from the quantification of cell viability using the MTT reduction assay. The first approach separately quantifies the damage inflicted to the epithelium and the stroma. The second approach quantifies the depth of injury by recording cell death as a function of depth. The classification obtained by the two models was compared to the Draize rabbit eye test and an ex vivo model using rabbit cornea (Jester et al. Toxicol in Vitro. 24, 597–604, 2010). With a 60min exposure, both of our models are able to clearly differentiate UN GHS Category 1 and UN GHS Category 2 test chemicals.

Hazard banding in compliance with the new Globally Harmonised System (GHS) for use in control banding tools

Many control banding tools use hazard banding in risk assessments for the occupational handling of hazardous substances. The outcome of these assessments can be combined with advice for the required risk management measures (RMMs).The Globally Harmonised System of Classification and Labelling of Chemicals (GHS) has resulted in a change in the hazard communication elements, i.e. Hazard (H) statements instead of Risk-phrases. Hazard banding schemes that depend on the old form of safety information have to be adapted to the new rules.The purpose of this publication is to outline the rationales for the assignment of hazard bands to H statements under the GHS. Based on this, this publication proposes a hazard banding scheme that uses the information from the safety data sheets as the basis for assignment. The assignment of hazard bands tiered according to the severity of the underlying hazards supports the important principle of substitution. Additionally, the set of assignment rules permits an exposure-route-specific assignment of hazard bands, which is necessary for the proposed route-specific RMMs.Ideally, all control banding tools should apply the same assignment rules. This GHS-compliant hazard banding scheme can hopefully help to establish a unified hazard banding strategy in the various control banding tools.

The Ex Vivo Eye Irritation Test as an alternative test method for serious eye damage/eye irritation.

Ocular irritation testing is a common requirement for the classification, labelling and packaging of chemicals (substances and mixtures). The in vivo Draize rabbit eye test (OECD Test Guideline 405) is considered to be the regulatory reference method for the classification of chemicals according to their potential to induce eye injury. In the Draize test, chemicals are applied to rabbit eyes in vivo, and changes are monitored over time. If no damage is observed, the chemical is not categorised. Otherwise, the classification depends on the severity and reversibility of the damage. Alternative test methods have to be designed to match the classifications from the in vivo reference method. However, observation of damage reversibility is usually not possible in vitro. Within the present study, a new organotypic method based on rabbit corneas obtained from food production is demonstrated to close this gap. The Ex Vivo Eye Irritation Test (EVEIT) retains the full biochemical activity of the corneal epithelium, epithelial stem cells and endothelium. This permits the in-depth analysis of ocular chemical trauma beyond that achievable by using established in vitro methods. In particular, the EVEIT is the first test to permit the direct monitoring of recovery of all corneal layers after damage. To develop a prediction model for the EVEIT that is comparable to the GHS system, 37 reference chemicals were analysed. The experimental data were used to derive a three-level potency ranking of eye irritation and corrosion that best fits the GHS categorisation. In vivo data available in the literature were used for comparison. When compared with GHS classification predictions, the overall accuracy of the three-level potency ranking was 78%. The classification of chemicals as irritating versus non-irritating resulted in 96% sensitivity, 91% specificity and 95% accuracy.

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Trichloroacetonitrile is used as an intermediate in insecticides, pesticides, and dyes. In Korea alone, over 10 tons are used annually. Its oral and dermal toxicity is classified as category 3 according to the globally harmonized system of classification and labelling of chemicals, and it is designated a toxic substance by the Ministry of Environment in Korea. There are no available inhalation toxicity data on trichloroacetonitrile. Thus, the present study performed inhalation tests to provide data for hazard and risk assessments. Sprague-Dawley rats were exposed to trichloroacetonitrile at concentrations of 4, 16, or 64 ppm for 6 hour per day 5 days per week for 13 weeks in a repeated study. As a result, salivation, shortness of breath, and wheezing were observed, and their body weights decreased significantly (p < 0.05) in the 16 and 64 ppm groups. All the rats in 64 ppm group were dead or moribund within 4 weeks of the exposure. Some significant changes were observed in blood hematology and serum biochemistry (e.g., prothrombin time, ratio of albumin and globulin, blood urea nitrogen, and triglycerides), but the values were within normal physiological ranges. The major target organs of trichloroacetonitrile were the nasal cavity, trachea, and lungs. The rats exposed to 16 ppm showed moderate histopathological changes in the transitional epithelium and olfactory epithelium of the nasal cavity. Nasal-associated lymphoid tissue (NALT) and respiratory epithelium were also changed. Respiratory lesions were common in the dead rats that had been exposed to the 64 ppm concentration. The dead animals also showed loss of cilia in the trachea, pneumonitis in the lung, and epithelial hyperplasia in the bronchi and bronchioles. In conclusion, the no-observed-adverse-effect level (NOAEL) was estimated to be 4 ppm. The main target organs of trichloroacetonitrile were the nasal cavity, trachea, and lungs.

In vivo micronucleus test of n-butyl acetate to classify a chemical’s mutagenicity according to GHS

To clarify the chemical hazard and classify the category of germ cell mutagenicity, a micronucleus (MN) assay of n-butyl acetate was conducted in mouse to investigate its mutagenicity using male Institute for Cancer Research (ICR) mice bone marrow cells. Also this test has not been conducted yet. The seven week-old male ICR mice were tested at three dosages for this chemical. After 24 hr of oral administration with n-butyl acetate, the mice were sacrificed and their bone marrow cells were prepared for smearing slides. As a result of counting the micronucleated polychromatic erythrocyte (MNPCE) of 2,000 polychromatic erythrocytes, the n-butyl acetate did not inhibit the bone marrow cell proliferation in all treated groups, and did make the MN induction. Based on the results of this test, it is concluded that this chemical did not increase the incidence of micronuclei under the present test conditions, and did not classified as a mutagen in the globally harmonized system of classification and labelling of chemicals (GHS).

Novo software para classificação de perigo de produto químicos – SafetyChem

In the last years, the man did not bother to catalog and classify the diversity of chemicals being produced for many purposes. These products are not just risky to human beings, but also to the environment. Nethertheless, this risk is not yet fully mapped and the Nota previa RevInter ISBN 1984-3577 MORAIS, Eduardo Moraes de. Novo software para classificacao de perigo de produto quimicos – SafetyChem. RevInter Revista Intertox de Toxicologia, Risco Ambiental e Sociedade, v. 4, n. 1, p. 153-158, fev. 2011. 154 information about it is not widely promoted. Recently the world discussed the subject and GHS (Globally Harmonized System of Classification and Labeling of Chemicals) main goal is to establish criteria for hazard classification and the standardization of the elements to represent them. SafetyChem® is a software that implements these ideas, designed to deal with the complexity of the information and flexible enough to evolve as this international standard is established, respecting regional peculiarities, different regulations, standard and languages.

Acute inhalation toxicity of manganese oxide nanoparticles

Manganese oxides have been synthesized by the interaction of Mn2+ and Mn in the presence of nanoreactors: cetyltrimethylammonium bromide micelles that were not present in the final product composition. The synthesized substance is investigated using scanning electron microscopy, X-ray diffraction analysis, dynamic light scattering, the Brunauer-Emmett-Teller method, and the method of Barrett-Joyner-Halenda. It is determined that the substance under examination is a filamentous nanometer-scale material with a cross-section size up to 100 nm. The acute inhalation toxicity study is performed according to the interstate standard using the method of acute-toxicity class determination (ATC method) (OECD, Test no. 436:2008, IDT). The ATC method allows us to see that synthesized nanosized manganese oxide has an acute toxicity property when inhaled as an aerosol. Upon 4-h exposure to Wistar rats weighing 190 ± 10g, CL50 is 0.12 mg/L. The clinical picture of acute intoxication is characterized by irritation, neurotoxic effects, and respiratory depression. According to CL50 (>0.05–0.5), mg/L criterion, synthesized nanosized manganese oxide belongs to hazard class 2 in accordance with Globally Harmonized System of Classification and Labelling of Chemicals (GHS).