Isobutyl benzoate is a benzoate ester obtained by the formal condensation of benzoic acid with isobutanol.
Definition
Isobutyl benzoate is a benzoate ester obtained by the formal condensation of benzoic acid with isobutanol. It has a role as a metabolite. It is functionally related to a benzoic acid and an isobutanol.
Source: PubChem
US FDA substance register · UNII KQ6XZ9WJII · registered name ISOBUTYL BENZOATE · single chemical substance
Isobutyl Benzoate is the ester of isobutyl alcohol and Benzoic Acid. It conforms to the formula:
Cosmetic roles
Safety & regulatory references
- Restricted
- China · Japan · South Korea
Source: MFDS (Korea) cosmetic regulatory information
Argentina · Brazil
- Maximum concentration permitted at final product : 0.5% (expressed as acid)
ASEAN
- Maximum authorised concentration in the finished cosmetic product : 0.5 % (acid)
Taiwan
- 0.5%
European Union
- Maximum concentration in ready for use preparation : 0.5% (acid)
Source: MFDS (Korea) cosmetic regulatory information
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
Restriction V/1a
Source: EU CosIng ingredient list
Reviewed by CIR: Safety Assessment of Alkyl Benzoates as Used in Cosmetics
More data — names, identifiers, properties, test records, literature
Official labels & definitions
JCIA labelling name 安息香酸イソブチル: 本品は、安息香酸（＊）とイソブチルアルコールのエステルであり、次の化学式で表される。
Source: JCIA labelling names (Japan)
Names & identifiers
- CAS No.chemical registry number
- 120-50-3
- EC No.EU chemical inventory number
- 204-401-3
- DTXSIDUS EPA chemical ID
- DTXSID6047074
- DTXCIDUS EPA compound ID
- DTXCID4027074
- IUPAC
- 2-Methylpropyl benzoate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.231 g/mol
Measured properties
- Appearance
- colourless oily liquid with a green, floral, leafy odour · liquid
- Boiling point
- 242.00 °C. @ 760.00 mm Hg · 240 °C
- Solubility
- insoluble in water, soluble in organic solvents, oils · miscible at room temperature (in ethanol)
- Density
- 0.994-0.999
- Colour
- colourless
- Initial boiling point and range
- 242 ℃
- Vapour pressure
- 1 ㎜Hg (at 64C)
- Relative density
- 1.0 ()
- n-Octanol/water partition coefficient (Kow)
- 3.23 (est.)
- Molecular weight
- 178.23
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 7 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
- Preservative1
- Solvent1
Source: US EPA CompTox dashboard
Linked databases 19
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- China inventory of existing ingredients (IECIC)
- EU CosIng ingredient list 2
- JCIA labelling names (Japan)
- Korea Cosmetic Association ingredient dictionary
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- MFDS (Korea) cosmetic ingredient register 2
- MFDS (Korea) cosmetic regulatory information 2 3
- NIST Chemistry WebBook
- PubChem 2
- UniChem cross-reference IDs
- US Cosmetic Ingredient Review (CIR) 2
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata