W319912
5-Methyl-2-phenyl-2-hexenal, mixture of isomers
natural, ≥96%, FG
别名:
2-Phenyl-5-methylhex-2-enal, Cocal, cocoa hexenal
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线性分子式:
(CH3)2CHCH2CH=C(C6H5)CHO
化学文摘社编号:
分子量:
188.27
FEMA Number:
3199
Council of Europe no.:
10365
UNSPSC Code:
12164502
PubChem Substance ID:
EC Number:
244-602-3
Flavis number:
5.099
NACRES:
NA.21
Organoleptic:
bitter; chocolate; cocoa
Grade:
FG, Fragrance grade, Halal, Kosher, natural
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
SMILES string
O=C\C(=C\CC(C)C)\c1ccccc1
InChI key
YURDCJXYOLERLO-LCYFTJDESA-N
InChI
1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9-
grade
FG, Fragrance grade, Halal, Kosher, natural
agency
follows IFRA guidelines, meets purity specifications of JECFA
reg. compliance
EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117
assay
≥96%
density
0.973 g/mL at 25 °C
application(s)
flavors and fragrances
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
fragrance allergen
no known allergens
organoleptic
bitter; chocolate; cocoa
Quality Level
Application
- A 90-day subchronic toxicity study of 5-methyl-2-phenyl-2-hexenal in F344 rats.: This study investigates the subchronic toxicity of 5-methyl-2-phenyl-2-hexenal, an aromatic aldehyde, in laboratory rats. The research assesses various biomarkers of organ toxicity, blood chemistry, and histopathological changes after repeated administration, emphasizing its safety profile and potential risks in biological systems (Nakamura et al., 2021).
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1
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
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