437751
Phenethyl isobutyrate
97%
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About This Item
Linear Formula:
(CH3)2CHCO2CH2CH2C6H5
CAS Number:
Molecular Weight:
192.25
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
203-116-1
MDL number:
assay
97%
form
solid
refractive index
n20/D 1.4873 (lit.)
bp
250 °C (lit.)
density
0.988 g/mL at 25 °C (lit.)
SMILES string
CC(C)C(=O)OCCc1ccccc1
InChI
1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI key
JDQVBGQWADMTAM-UHFFFAOYSA-N
General description
Phenethyl isobutyrate belongs to the fragrance structural group, Aryl Alkyl Alcohol Simple Acid Esters (AAASAE). It is reported as a fragrance ingredient. Toxicologic and dermatologic review on phenethyl isobutyrate has been reported.
Storage Class
13 - Non Combustible Solids
wgk
WGK 2
flash_point_f
226.4 °F - closed cup
flash_point_c
108.00 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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D McGinty et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 50 Suppl 2, S416-S419 (2012-03-13)
A toxicologic and dermatologic review of phenethyl isobutyrate when used as a fragrance ingredient is presented. Phenethyl isobutyrate is a member of the fragrance structural group Aryl Alkyl Alcohol Simple Acid Esters (AAASAE). The AAASAE fragrance ingredients are prepared by