W289000
乙酸3-苯丙酯
≥98%, FCC, FG
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关于此项目
线性分子式:
CH3CO2(CH2)3C6H5
化学文摘社编号:
分子量:
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:
产品名称
乙酸3-苯丙酯, ≥98%, FCC, FG
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
biological source
synthetic
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
存储类别
10 - Combustible liquids
wgk
WGK 2
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
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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