Ingredient Dictionary

ISOVALERIC ACID

Isovaleric acid is a C5, branched-chain saturated fatty acid.

Definition

Isovaleric acid is a C5, branched-chain saturated fatty acid. It has a role as a mammalian metabolite and a plant metabolite. It is a short-chain fatty acid, a methylbutyric acid and a branched-chain saturated fatty acid. It is a conjugate acid of an isovalerate.

Source: PubChem

US FDA substance register · UNII 1BR7X184L5 · registered name Isovaleric acid · single chemical substance

Source: US FDA Unique Ingredient Identifier (UNII)

Cosmetic roles

Gives the product a scentPERFUMING

Safety & regulatory references

Not classified under Korea’s toxic-substance GHS list · existing chemical substance

Source: Korea toxic substances GHS register (NIER)

More data — names, identifiers, properties, test records, literature

Names & identifiers

ISOVALERIC ACIDINCIButanoic acid, 3-methyl-Synonym

CAS No.chemical registry number: 503-74-2
EC No.EU chemical inventory number: 207-975-3
DTXSIDUS EPA chemical ID: DTXSID5029182
DTXCIDUS EPA compound ID: DTXCID309182

IUPAC: 3-Methylbutanoic acid
Molecular formula: C5H10O2
Molecular weight: 102.133 g/mol

Measured properties

Appearance: Isopentanoic acid is a colorless liquid with a penetrating odor. It is slightly soluble in water. It is corrosive to metals and to tissue. · Liquid
Odour: DISAGREEABLE, RANCID-CHEESE ODOR
Boiling point: 176.5 °C · 176.5 °C @ 760 MM HG
Melting point: -29.3 °C
Solubility: 40700 mg/L (at 20 °C) · SOL IN 24 PARTS WATER, SOL IN ALCOHOL, ETHER, CHLOROFORM
Density: 0.931 @ 20 °C/4 °C · 0.923-0.928
Dissociation constant: 4.77 (at 20 °C) · pKa = 4.77 @ 25 °C
Colour: colourless
pH: 3
Melting/freezing point: -29.3 ℃
Initial boiling point and range: 176.5 ℃(760mmHg)
Flash point: 70 ℃
Vapour pressure: 0.44 ㎜Hg (25 ℃)
Water solubility: 40700 ㎎/ℓ (20℃)
Vapour density: 3.52
Relative density: 0.931 ( at 20 ℃/4 ℃)
n-Octanol/water partition coefficient (Kow): 1.16
Auto-ignition temperature: 416 ℃
Molecular weight: 102.13

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: PubChem · KOSHA safety data sheets (Korea)

What products actually use it for

What the 8 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.

Fragrance3
Flavouring and nutrient2
No specific technical function1
Intermediate1
Solvent1

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

3 skin studies and 2 eye studies are on record.

Classed as highly irritating1

The study conclusions largely agree (100%). 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) equivalent or similar to
Category 6.3A (Category 2)
Skin Irritation · Read Across
Category 8.2C (Category 1C)
Skin Irritation · Read Across
Category 6.4A (Category 2A)
Eye Irritation · Read Across
Category 8.3A (Category 1)
Eye Irritation · Read Across