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EC number: 207-975-3 | CAS number: 503-74-2
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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 |
Experimental data |
|||||
Bacterial cells |
Florin et al. (1980) |
3-methyl butanal |
Similar OECD 471; |
negative |
WoE |
|
Aeschbacher et al. (1989) |
3-methyl butanal |
Similar OECD 471; |
negative |
WoE |
|
Mortelmans et al. (1986) |
butanal |
OECD 471 |
negative |
WoE |
|
NTP (1999) |
isobutanal |
OECD 471 |
negative |
WoE |
|
NTP (1988) |
pentanal |
OECD 471 |
negative |
WoE |
Mammalian cells; cytogenetics |
Kreja & Seidel (2002) |
3-methyl-butanol |
In-vitro micronuclei test; V79 Chinese hamster cells. |
negative |
WoE |
Kreja & Seidel (2002) |
3-methyl-butanol |
Comet assay; human cells (A549, peripherl blood cells) and V79 Chinese hamster cells. |
negative |
WoE |
|
Mammalian cells; mutagenicity |
Kreja & Seidel (2002) |
3-methyl-butanol |
Similar OECD 476; HPRT, Chinese hamster V79 cells |
negative |
WoE |
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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