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437751

Sigma-Aldrich

Phenethyl isobutyrate

97%

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About This Item

Linear Formula:
(CH3)2CHCO2CH2CH2C6H5
CAS Number:
103-48-0
Molecular Weight:
192.25
EC Number:
203-116-1
MDL number:
MFCD00026441
UNSPSC Code:
12352100
PubChem Substance ID:
24867395

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

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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 Code

13 - Non Combustible Solids

WGK

WGK 2

Flash Point(F)

226.4 °F - closed cup

Flash Point(C)

108.00 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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

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