2-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2.
Definition
2-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2. It has a role as a flavouring agent, a fragrance and a plant metabolite. It is a monocarboxylic acid, a short-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is a conjugate acid of a 2-methylvalerate.
Source: PubChem
US FDA substance register · UNII 26A19CG6J9 · registered name 2-METHYLPENTANOIC ACID · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 97-61-0
- EC No.EU chemical inventory number
- 202-594-9
- DTXSIDUS EPA chemical ID
- DTXSID9021633
- DTXCIDUS EPA compound ID
- DTXCID401633
- IUPAC
- 2-Methylpentanoic acid
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16 g/mol
Measured properties
- Appearance
- liquid
- Melting/freezing point
- -85 ℃
- Initial boiling point and range
- 196.5 ℃
- Flash point
- 98 ℃
- Vapour pressure
- 0.445 ㎜Hg
- Water solubility
- 15000 ㎎/ℓ
- Relative density
- 0.92
- n-Octanol/water partition coefficient (Kow)
- 1.8
- Molecular weight
- 116.16
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: KOSHA safety data sheets (Korea)
What products actually use it for
What the 4 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Flavouring and nutrient2
- Fragrance2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
3 skin studies and 2 eye studies are on record.
The studies disagree (the most common conclusion covers 50%), so they do not establish that this ingredient is irritating. These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 5 studies
- Corrosive
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Skin corrosion/irritation - Category 2
Skin Irritation · Screening - Category 8.2C (Category 1C)
Skin Irritation · Read Across - Serious eye damage/eye irritation - Category 2
Eye Irritation · Screening - Category 8.3A (Category 1)
Eye Irritation · Read Across
Source: US EPA CompTox dashboard
Linked databases 14
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata