16797
3-甲基-4-（2,6,6-三甲基-2-环己烯-1-基）-3-丁烯-2-酮
analytical standard
别名:
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.24
PubChem Substance ID:
UNSPSC Code:
85151701
EC Number:
204-846-3
MDL number:
产品名称
3-甲基-4-（2,6,6-三甲基-2-环己烯-1-基）-3-丁烯-2-酮, analytical standard
InChI key
JRJBVWJSTHECJK-PKNBQFBNSA-N
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+
SMILES string
CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C
grade
analytical standard
assay
≥90.0% (GC)
shelf life
limited shelf life, expiry date on the label
refractive index
n20/D 1.495-1.505
density
0.93 g/mL at 20 °C (lit.)
application(s)
cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
format
neat
Quality Level
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Application
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one may be used as an analytical reference standard for the determination of the analyte in perfumes, leave-on cosmetics, commercial scented products, and fragrance raw materials/perfume oils by various chromatography techniques.
General description
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is a fragrance compound primarily utilized in personal care products, including cosmetics, shampoos, deodorants, air fresheners, etc. It is a well-known fragrance allergen known to induce allergic contact dermatitis and rashes.
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
Development of a solid phase dispersion-pressurized liquid extraction method for the analysis of suspected fragrance allergens in leave-on cosmetics
Lamas JP, et al.
Journal of Chromatography A, 1217(52), 8087-8094 (2010)
Quantitative analysis of the 26 allergens for cosmetic labeling in fragrance raw materials and perfume oils
Leijs H, et al.
Journal of Agricultural and Food Chemistry, 53(14), 5487-5491 (2005)
Determination of fragrance allergens and their dermal sensitization quantitative risk assessment (QRA) in 107 spray perfumes
Soo LD, et al.
Journal of Toxicology and Environmental Health. Part A, 81(22), 1173-1185 (2018)
C Villa et al.
Journal of pharmaceutical and biomedical analysis, 44(3), 755-762 (2007-05-04)
The European legislation on cosmetic products has recently required the declaration of 26 compounds (24 volatile chemicals and 2 natural extracts) on the label of final products when exceeding a stipulated cut-off level. In this work a rapid reliable and
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