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Merck
CN

W286206

Phenethyl isobutyrate

≥98%, FCC, FG

Synonym(s):

2-Phenylethyl 2-methylpropanoate, 2-Phenylethyl isobutyrate

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About This Item

Linear Formula:
(CH3)2CHCO2CH2CH2C6H5
CAS Number:
103-48-0
Molecular Weight:
192.25
FEMA Number:
2862
Council of Europe no.:
302
UNSPSC Code:
12164502
PubChem Substance ID:
24901353
Flavis number:
9.427
EC Number:
203-116-1
NACRES:
NA.21
MDL number:
MFCD00026441

Key Documents

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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

biological source

synthetic

grade

FG, Kosher

reg. compliance

EU Regulation 1334/2008 & 872/2012, FCC, FDA 21 CFR 172.515

assay

≥98%

refractive index

n20/D 1.4873 (lit.)

bp

250 °C (lit.)

density

0.988 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

fruity; floral; rose

General description

Phenethyl isobutyrate can be used as a flavoring agent and fragrance ingredient. It is one of the important volatile metabolite formed in the Kluyveromyces lactis broth during fermentation.

Storage Class

10 - Combustible liquids

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCD1557
MKBJ7805V
48997MJV
48997MJ
92197KJ

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Fragrance material review on phenethyl isobutyrate.
McGinty D, et al.
Food And Chemical Toxicology, 50, S416-S419 (2012)
Volatile metabolites produced by Kluyveromyces lactis and their changes during fermentation.
Jiang J.
Process. Biochem., 30(7), 635-640 (1995)
Changes in volatile composition of Kluyveromyces lactis broth during fermentation.
Jiang J.
Developments in food science, 37, 1073-1086 (1995)
T B Adams et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 43(8), 1179-1206 (2005-06-14)
This publication is the ninth in a series of safety evaluations performed by the Expert Panel of the Flavor and Extract Manufacturers Association (FEMA). In 1993, the Panel initiated a comprehensive program to re-evaluate the safety of more than 1700

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