W289302
异丁酸-3-苯基丙酯
≥98%, FG
别名:
2-甲基丙酸3-苯丙酯
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关于此项目
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
Halal
Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
产品名称
异丁酸-3-苯基丙酯, ≥98%, FG
SMILES string
CC(C)C(=O)OCCCc1ccccc1
InChI key
VBTAKMZSMFMLGT-UHFFFAOYSA-N
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
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
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
Fragrance material review on 3-phenylpropyl isobutyrate.
Bhatia SP, et al.
Food And Chemical Toxicology, 49, S242-S245 (2011)
A toxicological and dermatological assessment of aryl alkyl alcohol simple acid ester derivatives when used as fragrance ingredients.
Belsito D, et al.
Food And Chemical Toxicology, 50(2), 2-2 (2012)
A toxicologic and dermatologic assessment of cinnamyl phenylpropyl materials when used as fragrance ingredients
Belsito D, et al.
Food And Chemical Toxicology, 49, S256-S267 (2011)
The Occurrence of 3-Phenylpropyl Isobutyrate in Roman Camomile Oil.
Bassols F & Thomas AF.
J. Essent. Oil Res., 3(5), 309-312 (1991)
The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients.
Adams TB, et al.
Food And Chemical Toxicology, 42(2), 157-185 (2004)
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