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Key Documents

SML3380

Sigma-Aldrich

Phenoxyethyl isobutyrate

≥95% (HPLC)

Synonym(s):

Propanoic acid, 2-methyl-, 2-phenoxyethyl ester (9CI, ACI)

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About This Item

Empirical Formula (Hill Notation):
C12H16O3
CAS Number:
103-60-6
Molecular Weight:
208.25
MDL number:
MFCD00027363
UNSPSC Code:
12352200
NACRES:
NA.77

Quality Level

100

Assay

≥95% (HPLC)

form

oil

color

, Colorless to light brown

storage temp.

2-8°C

SMILES string

O(CCOC(=O)C(C)C)c1ccccc1

InChI

1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChI key

MJTPMXWJHPOWGH-UHFFFAOYSA-N

Biochem/physiol Actions

Competitive antagonst of olfactory receptor OR2AT4
Phenoxyethyl isobutyrate is an antagonist of olfactory receptor OR2AT4, a G-protein-coupled receptor (GPCR) also expressed in human primary keratinocytes.

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

278.9 °F - closed cup

Flash Point(C)

137.16 °C - closed cup

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