93192
α-甲基紫罗兰酮
odorant used in allergy studies
别名:
3-甲基-4-（2,6,6-三甲基-2-环己烯-1-基）-3-丁烯-2-酮, α-丙酮, 异甲基-α-紫罗兰酮
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关于此项目
经验公式（希尔记法）:
C14H22O
化学文摘社编号:
分子量:
206.32
NACRES:
NA.52
PubChem Substance ID:
UNSPSC Code:
12352200
EC Number:
204-846-3
MDL number:
grade
Molecular Biology
Quality Segment
form
liquid
composition
iso-ɑ-methylionone, ≥85% , iso-β-methylionone, ≤10%
density
0.93 g/mL at 20 °C (lit.)
storage temp.
room temp
SMILES string
CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C
InChI
1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
InChI key
JRJBVWJSTHECJK-PKNBQFBNSA-N
General description
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is fragrant sensitizer added frequently to deodorants and perfumes. It is one of the allergens responsible for axillary dermatitis.
Application
Suitable for
- contact sensitization studies to identify allergens present in cosmetic preparations
- elucidation of molecular pathways related to allergic reactions
- analytical standard
hcodes
pcodes
Hazard Classifications
Aquatic Chronic 2
存储类别
10 - Combustible liquids
wgk
WGK 2
flash_point_f
230.5 °F - closed cup
flash_point_c
110.3 °C - closed cup
ppe
Eyeshields, Gloves