Merck
CN

W289000

Sigma-Aldrich

乙酸3-苯丙酯

≥98%, FCC, FG

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线性分子式:
CH3CO2(CH2)3C6H5
CAS号:
分子量:
178.23
FEMA编号:
2890
EC 号:
欧洲委员会编号:
222
MDL编号:
PubChem化学物质编号:
Flavis编号:
9.032

生物来源

synthetic

质量水平

等级

FG
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

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

检测方案

≥98%

折射率

n20/D 1.496 (lit.)

bp

244 °C (lit.)

密度

1.012 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

性状检查

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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乙酸桂酯

trans-3-Octen-2-one ≥98%, stabilized, FG

Sigma-Aldrich

W341606

反式-3-辛烯-2-酮

2-Pentadecanone ≥98%, FG

Sigma-Aldrich

W372404

2-十五烷酮

grade

FG, Kosher

grade

FG, Halal, Kosher

grade

FG, Halal, Kosher

grade

FG, Halal, Kosher

agency

meets purity specifications of JECFA

agency

meets purity specifications of JECFA

agency

meets purity specifications of JECFA

agency

meets purity specifications of JECFA

assay

≥98%

assay

≥98%

assay

≥98%

assay

≥98%

refractive index

n20/D 1.496 (lit.)

refractive index

n20/D 1.541 (lit.)

refractive index

n20/D 1.448 (lit.)

refractive index

-

bp

244 °C (lit.)

bp

265 °C (lit.)

bp

100 °C/18 mmHg (lit.)

bp

293 °C (lit.)

储存分类代码

10 - Combustible liquids

WGK

WGK 2

闪点(°F)

235.4 °F - closed cup

闪点(°C)

113 °C - closed cup


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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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