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线性分子式:
(CH3)2CHCO2(CH2)3C6H5
化学文摘社编号:
分子量:
206.28
FEMA Number:
2893
Council of Europe no.:
303
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.428
EC Number:
203-125-0
NACRES:
NA.21
MDL number:
Organoleptic:
balsam; fruity; sweet
Grade:
FG, Halal, Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
biological source
synthetic
grade
FG, Halal, Kosher
agency
meets purity specifications of JECFA
reg. compliance
EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 172.515
assay
≥98%
refractive index
n20/D 1.486 (lit.)
bp
282 °C (lit.)
density
0.979 g/mL at 25 °C (lit.)
application(s)
flavors and fragrances
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
organoleptic
balsam; fruity; sweet
SMILES string
CC(C)C(=O)OCCCc1ccccc1
InChI
1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChI key
VBTAKMZSMFMLGT-UHFFFAOYSA-N
General description
3-Phenylpropyl isobutyrate belongs to the cinnamyl phenylpropyl group of fragrance materials. It is the key volatile constituent of Roman camomile essential oil.
存储类别
10 - Combustible liquids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves