Ingredient Dictionary

ALLYL ISOVALERATE

Allyl isovalerate is a fatty acid ester.

Definition

Allyl isovalerate is a fatty acid ester.

Source: PubChem

US FDA substance register · UNII 3551Z86V7T · registered name ALLYL ISOVALERATE · single chemical substance

Source: US FDA Unique Ingredient Identifier (UNII)

Cosmetic roles

Gives the product a scentPERFUMING

Safety & regulatory references

Restricted: United Kingdom

Source: EU Cosmetics Regulation · MFDS (Korea) cosmetic regulatory information · UK cosmetics regulations (OPSS)

European Union

Other : Level of free allyl alcohol in the ester should be less than 0.1%

Source: MFDS (Korea) cosmetic regulatory information

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

Source: Korea toxic substances GHS register (NIER)

EU Cosmetics Regulation, Annex III (restricted substances), entry 141

Source: EU restricted substances (Annex III)

Restriction III/141 · Other restriction: ban substances that deplete the ozone layer

Source: EU CosIng ingredient list

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

Names & identifiers

ALLYL ISOVALERATEINCI알릴아이소발레레이트Korean label name (MFDS standard)Butanoic acid, 3-methyl-, 2-propenyl esterSynonym

CAS No.chemical registry number: 2835-39-4
EC No.EU chemical inventory number: 220-609-7
DTXSIDUS EPA chemical ID: DTXSID4039233
DTXCIDUS EPA compound ID: DTXCID0048

IUPAC: Prop-2-en-1-yl 3-methylbutanoate
Molecular formula: C8H14O2
Molecular weight: 142.198 g/mol

Measured properties

Appearance: Allyl isovalerate is a clear colorless to pale yellow liquid with overripe fruit odor and an apple taste. (NTP, 1992) · Colorless to pale yellow liquid with an odor of overripe fruit, [CAMEO]
Odour: PLEASANT OVER-RIPE FRUIT ODOR
Boiling point: 306.1 °F at 729 mmHg (NTP, 1992) · 89-90 °C
Solubility: less than 0.1 mg/mL at 61.7 °F (NTP, 1992) · Insoluble in water and miscible with perfume and flavour materials
Density: 0.882 at 75 °F (NTP, 1992) - Less dense than water, will float · 0.879-0.884
Colour: colourless
Initial boiling point and range: 89~90 ℃
Vapour pressure: 3.11 ㎜Hg (at 25℃ (est.))
n-Octanol/water partition coefficient (Kow): 2.62 ((est.))
Molecular weight: 142.22

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 3 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
Fragrance1

Source: US EPA CompTox dashboard