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Key concepts and dossier preparation, Part I

Mono-constituent substances

Suvi Takala

http://echa.europa.eu 1

Key concepts and dossier preparation, Part I

• Key concepts– Main constituent(s) – Impurities– Additives

• Dossier preparation– Mono-constituent substances


Main constituent(s)

• A constituent, not being an additive or impurity, in a substance that makes up a significant part of that substance– One main constituent → Mono-constituent substance– Two or more main constituents → Multi-constituent substance

• Contributes to the naming of the substance • Shall be specified by

– All relevant identifiers as given in Annex VI, Section 2 of REACH Regulation

• The main constituent(s) is (are) the same for all members in the same SIEF, however the concentration range may vary

• Concentration of the main constituent(s) = purity of the substance


Impurities

• An unintended constituent present in a substance, as produced • Does not contribute to the naming of the substance• Identification and quantification required for

– All impurities (including isomers and by-products) ≥ 1 %– Impurities that are relevant for the classification and/or PBT assessment

• Shall be specified by at least– Name(s) in the IUPAC nomenclature or other international chemical

name– EC number (if available and appropriate)– CAS name and CAS number (if available)– Molecular and structural formula

• Each registrant needs to identify and quantify their own impurities in their own dossier


Additives

• A substance that has been intentionally added to stabilise the substance

• Contributes to the substance composition (but not to the naming)• Shall be specified by at least

– Name(s) in the IUPAC nomenclature or other international chemical name

– EC number (if available and appropriate)– CAS name and CAS number (if available)– Molecular and structural formula

• Function of the additive should be specified• Each registrant needs to identify and quantify their own additive(s) in

their own dossier


Mono-constituent substance

• Composition is known• Concentration of the main constituent ≥ 80% (w/w)

• Naming– Named after the main constituent

• According to the IUPAC nomenclature rules• In English language


Mono-constituent substance

• Identification (REACH Regulation: Annex VI 2.1-2.2, IUCLID 5 Section 1.1)

– IUPAC name, EINECS or ELINCS number (if available and appropriate), CAS name and CAS number (if available), other identity name or code (if available), information related to molecular and structural formula

• Composition (REACH Regulation: Annex VI 2.3.1-2.3.4, IUCLID 5 Section 1.2)

– Purity, impurities and additives together with relevant identifiers and concentrations

• Analytical data (REACH Regulation: Annex VI 2.3.5-2.3.7, IUCLID 5 Section 1.4)

– Spectral and chromatographic data– Description of the analytical methods used (* IUCLID 5 dossier)


Examples of mono-constituent substances

• 1-Aminoanthracene-9,10-dione– 1-Aminoanthracene-9,10-dione 95%– Anthraquinone 5%

• Cobalt– Cobalt 99.8%– 12 Unknown impurities 0.2% (total, each <0.1%)


Section 1.1


Assign the Reference substance

Choose the Type of the substance

Section 1.1 (cont.)


Check pre-filled fields.

Fill in missing information.

Make sure that all identifiers (IUPAC name, structural formula, EC number, CAS name and number, molecular formulae and weight, SMILES notation etc.) refer to the same substance.

Section 1.2


Identify all main constituents, impurities and additives.

Provide at least IUPAC name and structural formula for each.

In case EC number and name, CAS number and name, SMILES notation etc. are available, provide them also.

If relevant, provide two or more compositions.

Section 1.2 (cont.)


When filling the information, make sure that:- Number of main constituents and their concentrations;- Number of impurities and their concentrations;- Purity given;are all consistent with the analytical data provided in Section 1.4.Provide both upper and lower concentration range.

Section 1.2 (cont.)


For unknown impurities, please provide the total concentration of the unknown impurities together with the number of impurities.

Section 1.2 (cont.)


Provide the function of the additive.

Note: Only stabilizers are considered additives under the REACH Regulation.

Section 1.4


Attach the analytical information as required in Annex VI of Section 2 of REACH Regulation.

Make sure the results of the analysis are consistent with the information provided in Section 1.2.

You need to provide scientific justification for not providing information as required in Annex VI, Section 2 of REACH Regulation.

If the techniques mentioned in Annex VI, Section 2 of REACH Regulation are not suitable for your substance, please provide data from another characterization method.

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