Ingredient Dictionary

ISOBUTYL ISOBUTYRATE

2-Methylpropyl 2-methylpropionate is a carboxylic ester.

Definition

2-Methylpropyl 2-methylpropionate is a carboxylic ester.

Source: PubChem

US FDA substance register · UNII Y495J99R5D · registered name ISOBUTYL 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

ISOBUTYL ISOBUTYRATEINCIPropanoic acid, 2-methyl-, 2-methylpropyl esterSynonym

CAS No.chemical registry number: 97-85-8
EC No.EU chemical inventory number: 202-612-5
DTXSIDUS EPA chemical ID: DTXSID6026612
DTXCIDUS EPA compound ID: DTXCID906612

IUPAC: 2-Methylpropyl 2-methylpropanoate
Molecular formula: C8H16O2
Molecular weight: 144.214 g/mol

Measured properties

Appearance: Isobutyl isobutyrate appears as a colorless liquid with a pleasant fruity odor. Moderately toxic by inhalation. Insoluble in water and floats on water, but soluble in alcohol and ethers. It is used as a flavoring and in the manufacture of insecticides. · Liquid
Odour: FRUITY ODOR · ODOR AND TASTE REMINISCENT OF PINEAPPLE
Boiling point: 299.7 °F at 760 mmHg (USCG, 1999) · 148.6 °C
Melting point: -113.3 °F (USCG, 1999) · -80.66 °C
Solubility: 0.5 G PER 100 ML WATER · SOL IN ALC ETHER AND ACETONE
Density: 0.853 to 0.857 at 68 °F (USCG, 1999) · 0.8750 @ 0 °C/4 °C
Colour: colourless
Melting/freezing point: -81 ℃
Initial boiling point and range: 147 ℃
Flash point: 40 ℃
Upper/lower flammability or explosive limits: 7.59 / 0.96 %
Vapour pressure: 4.33 ㎜Hg
Water solubility: 1000 ㎎/ℓ (at 20℃)
Vapour density: 4.97
Relative density: 0.8750
n-Octanol/water partition coefficient (Kow): 2.68 (est.)
Auto-ignition temperature: 432 ℃
Molecular weight: 144.21

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 12 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.

Solvent5
Fragrance4
Flavouring and nutrient2
Intermediate1

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

2 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 3 studies

Not classified
Skin Irritation · Screening
Classification not possible
Skin Sensitization · Screening
Classification not possible
Eye Irritation · Screening