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W289000

Sigma-Aldrich

3-Phenylpropyl acetate

≥98%, FCC, FG

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About This Item

Linear Formula:
CH3CO2(CH2)3C6H5
CAS Number:
122-72-5
Molecular Weight:
178.23
FEMA Number:
2890
EC Number:
204-569-8
Council of Europe no.:
222
MDL number:
MFCD00026216
UNSPSC Code:
12164502
PubChem Substance ID:
24901378
Flavis number:
9.032
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

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

Assay

≥98%

refractive index

n20/D 1.496 (lit.)

bp

244 °C (lit.)

density

1.012 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

cinnamon; balsamic; spicy

SMILES string

CC(=O)OCCCc1ccccc1

InChI

1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3

InChI key

JRJGKUTZNBZHNK-UHFFFAOYSA-N

Related Categories

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Certificates of Analysis (COA)

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Zhiqiang Yao et al.
Protein science : a publication of the Protein Society, 27(8), 1526-1534 (2018-05-04)
The study of enzyme substrate specificity is vital for developing potential applications of enzymes. However, the routine experimental procedures require lot of resources in the discovery of novel substrates. This article reports an in silico structure-based algorithm called Crius, which

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