Ingredient Dictionary

PHENETHYL ISOBUTYRATE

Phenethyl isobutyrate is a carboxylic ester obtained by the formal condensation of 2-phenylethanol with isobutyric acid.

Definition

Phenethyl isobutyrate is a carboxylic ester obtained by the formal condensation of 2-phenylethanol with isobutyric acid. It has a role as a metabolite. It is functionally related to an isobutyric acid and a 2-phenylethanol.

Source: PubChem

US FDA substance register · UNII QRZ4RE7DCL · registered name 2-PHENYLETHYL ISOBUTYRATE · 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

PHENETHYL ISOBUTYRATEINCIPropanoic acid, 2-methyl-, 2-phenylethyl esterSynonym

CAS No.chemical registry number: 103-48-0
EC No.EU chemical inventory number: 203-116-1
DTXSIDUS EPA chemical ID: DTXSID7044764
DTXCIDUS EPA compound ID: DTXCID5024764

IUPAC: 2-Phenylethyl 2-methylpropanoate
Molecular formula: C12H16O2
Molecular weight: 192.258 g/mol

Measured properties

Appearance: liquid
Melting/freezing point: &amp, lt, -100 ℃
Initial boiling point and range: 223~233 ℃
Flash point: 114 ℃
Vapour pressure: 0.34
Water solubility: 160 ㎎/ℓ
Relative density: 0.989
n-Octanol/water partition coefficient (Kow): 3.5
Auto-ignition temperature: 445 ℃ (1013hPa)
Molecular weight: 192.2564

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 51 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.

Fragrance48
Flavouring and nutrient2
No specific technical function1

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

1 skin studies and 1 eye studies are on record.

Classed as low1

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 2 studies

Category 6.3B (Category 3)
Skin Irritation · Read Across
Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) 1997 according to