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Merck
CN

W289000

3-Phenylpropyl acetate

≥98%, FCC, FG

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About This Item

Linear Formula:
CH3CO2(CH2)3C6H5
CAS Number:
Molecular Weight:
178.23
FEMA Number:
2890
Council of Europe no.:
222
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.032
EC Number:
204-569-8
NACRES:
NA.21
MDL number:
Organoleptic:
cinnamon; balsamic; spicy
Grade:
FG, Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

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



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Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup



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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



Global Trade Item Number

SKUGTIN
W289000-SAMPLE-K04061837529887
W289000-5KG-K04061837529870
W289000-1KG-K04061837529863