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REACH

Isovaleric acid

EC number: 207-975-3 | CAS number: 503-74-2

Life Cycle description
Uses advised against

Toxicological information

Endpoint summary

Administrative data

Key value for chemical safety assessment

Additional information

No fully valid study on isovaleric acid was located. However, QSAR models may be used and read across to related substances can be made. Read across can be made from other short chain aliphatic acids, branched or linear, and additionally from metabolic precursors (respective alcohol, aldehyde, ester) that are rapidly converted to isovaleric acid. Following this approach extensive information was collected which is outlined below.

Genotoxicity endpoint, in-vitro	Source	Substance	Test guideline; GLP	Result	Purpose Reliability
QSAR models
Mutagenicity	Toolbox Prediction Ames (2012)	3-Methylbutyric Acid	OECD QSAR Toolbox 3.0.0.995	negative	SS 2
Experimental data
Bacterial cells	Florin et al. (1980)	3-methyl butanal	Similar OECD 471; Non-GLP	negative	WoE 3
	Aeschbacher et al. (1989)	3-methyl butanal	Similar OECD 471; Non-GLP	negative	WoE 3
	Mortelmans et al. (1986)	butanal	OECD 471 GLP: no data	negative	WoE 2
	NTP (1999)	isobutanal	OECD 471 GLP: no data	negative	WoE 2
	NTP (1988)	pentanal	OECD 471 GLP: no data	negative	WoE 2
Mammalian cells; cytogenetics	Kreja & Seidel (2002)	3-methyl-butanol	In-vitro micronuclei test; V79 Chinese hamster cells. GLP: no data	negative	WoE 2
Mammalian cells; cytogenetics	Kreja & Seidel (2002)	3-methyl-butanol	Comet assay; human cells (A549, peripherl blood cells) and V79 Chinese hamster cells. GLP: no data	negative	WoE 2
Mammalian cells; mutagenicity	Kreja & Seidel (2002)	3-methyl-butanol	Similar OECD 476; HPRT, Chinese hamster V79 cells GLP: no data	negative	WoE 2
Micronucleus test in vivo	Utesch and Walter (1999)	3-methyl-butanol	OECD 474; GLP; male and female mice	negative	WoE 2

Based on the above results it is concluded that isovaleric acid is not genotoxic.

This view is also supported by a recent publication (Safety assessment of saturated branched chain alcohols when used as fragrance ingredients. Food and Chemical Toxicology, Vol 48, supplement 4; 2010) and a scientific opinion of EFSA on the safety of branched chain alcohols/aldehydes/acids/esters when used as flavourings for all animal species (EFSA Journal 2012; 10 (10): 2927.

Justification for selection of genetic toxicity endpoint
No study on isovaleric acid is available, but QSAR model results and read across from 5 closely related substances suggest that isovaleric acid is not genotoxic.

Short description of key information:
QSAR model results and read across from 5 closely related substances suggest that isovaleric acid is not genotoxic.

Endpoint Conclusion: No adverse effect observed (negative)

Justification for classification or non-classification

QSAR model results and read across from 5 closely related substances suggest that isovaleric acid is not genotoxic. Hence, classification is not required.

Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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