Isobutyl cinnamate is a cinnamate ester.
Definition
Isobutyl cinnamate is a cinnamate ester.
Source: PubChem
US FDA substance register · UNII 4NCI0MR7KP · registered name ISOBUTYL CINNAMATE · single chemical substance
Cosmetic roles
Gives the product a scentPERFUMING
Safety & regulatory references
- Restricted
- International fragrance standard (IFRA)
Source: IFRA fragrance standards
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
ISOBUTYL CINNAMATEINCI2-Propenoic acid, 3-phenyl-, 2-methylpropyl esterSynonym
- CAS No.chemical registry number
- 122-67-8
- EC No.EU chemical inventory number
- 204-564-0
- DTXSIDUS EPA chemical ID
- DTXSID2047646
- DTXCIDUS EPA compound ID
- DTXCID0027646
- IUPAC
- 2-Methylpropyl 3-phenylprop-2-enoate
- Molecular formula
- C13H16O2
- Molecular weight
- 204.269 g/mol
Measured properties
- Appearance
- Colourless liquid, sweet fruity balsamic odour · liquid
- Boiling point
- 287 °C
- Solubility
- insoluble in water, soluble in oils · miscible (in ethanol)
- Density
- 1.001-1.005
- Colour
- colourless
- Melting/freezing point
- 21.36 ℃
- Initial boiling point and range
- 287 ℃
- Flash point
- 113 ℃
- Vapour pressure
- 0.002 ㎜Hg (20℃)
- Water solubility
- 25.75 ㎎/ℓ (25℃(est.))
- Relative density
- 1.003 (25℃)
- n-Octanol/water partition coefficient (Kow)
- 3.76
- Molecular weight
- 204.26
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 6 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
Source: US EPA CompTox dashboard
Related literature
Linked databases 16
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- IFRA fragrance standards
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem 2
- Tlooto literature search
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata