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GB/T 36700.6-2018Chemicals—Guidance on hazard classification to the aquatic environment—Part 6: Quantitative structure-activity relationship(QSAR) (English PDF)

化学品 水生环境危害分类指导 第6部分:定量结构活性关系(QSAR)

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Issued by

SAMR; SAC

Level / Type

National · Recommended

Issue date

September 17, 2018

Implementation date

April 1, 2019

Scope

GB/T 36700.6-2018 is the English-translated version of 化学品 水生环境危害分类指导 第6部分:定量结构活性关系(QSAR).

GB/T 36700.6-2018 is Part 6 of the Chinese national guidance on classifying chemicals for hazards to the aquatic environment, and deals with quantitative structure-activity relationships (QSAR).

It explains how QSAR is used when classifying chemicals for aquatic hazards, which test factors can lead to a dangerous underestimation of hazard, and how models are selected and applied.

Among these factors it discusses non-electrolyte substances, such as hydrocarbons that volatilise during the test and strongly hydrophobic compounds that do not reach a steady state in acute toxicity tests, and the linear relationship between lg Kow and toxicity.

It defines excess toxicity and abbreviations such as BCF, Kow, LFER and QSAR, and relies on the partition coefficient methods of GB/T 21853 and GB/T 29882. It was issued on 17 September 2018 and has applied since 1 April 2019.

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Document preview — GB/T 36700.6-2018

National Standard of the People's Republic of China

ICS
13.300
Classification
A 80

Issued by: State Administration for Market Regulation; Standardization Administration of the PRC

Contents

  • Foreword
  • 1 Scope
  • 2 Normative references
  • 3 Terms and definitions, abbreviations
  • 4 Test factors that lead to underestimation of risk

Foreword

GB/T 36700 "Chemical Aquatic Environmental Hazard Classification Guidance" is divided into the following eight parts.

--- Part 1. Introduction;

--- Part 2. Unified classification method;

---Part 3. Aquatic toxicity;

--- Part 4. Degradation;

--- Part 5. Bioconcentration;

--- Part 6. Quantitative structure activity relationship (QSAR);

--- Part 7. Classification of metals and metal compounds;

--- Part 8. Guidance for the conversion/dissolution of metals and metal compounds in aqueous media.

This part is the sixth part of GB/T 36700.

This part is drafted in accordance with the rules given in GB/T 1.1-2009.

1 Scope

This part of GB/T 36700 specifies the test factors that lead to dangerous underestimation of hazard, and the selection and use of models, when quantitative structure activity relationship (QSAR) methods are involved in the classification of chemicals for aquatic environmental hazards.

This section applies to the guidance on the use of QSAR for the classification of chemical aquatic environmental hazards.

2 Normative references

The following documents are indispensable for the application of this document. For dated references, only dated versions apply to this document. For undated references, the latest edition (including all amendments) applies to this document.

GB/T 21853 chemical partition coefficient (n-octanol-water) shake flask test

GB/T 29882 Miscellaneous dangerous substances and articles - Classification test method n-octanol/water partition coefficient

GB 30000.28 Classification and labelling of chemicals - Part 28. Harm to the aquatic environment

3 Terms and definitions, abbreviations

3.1 Terms and definitions

The following terms and definitions defined in GB 30000.28 apply to this document.

3.1.1 Excess toxicity

Substance exhibits toxicity beyond the predicted value.

3.2 Abbreviations

The following abbreviations apply to this document.

BCF: Bioconcentration factor

Kow: n-octanol-water partition coefficient

LFER: Linear free-energy relationship

QSAR: Quantitative structure-activity relationship

4 Test factors that lead to underestimation of risk

4.1 Non-electrolytic substances

Some non-electrolytic substances are more toxic than QSAR predictions unless the test results are small. These test factors, such as hydrocarbons that are easily volatilized during the test, as well as strong hydrophobic compounds in the acute toxicity test due to testing insufficient deficiencies make it difficult to achieve a steady state between the aqueous phase concentration (aquarium test solution) and the concentration of the internal hydrophobic site that produces an anesthetic effect.

Only when this balance is established during the test time is the relationship between lgKow and lgC of low-reactivity non-electrolytic substances linear.

......
This preview omits tables, figures, formulas and parts of the technical clauses. The complete document — 15 pages — is available in the English PDF.

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