Merck
CN

16797

Supelco

3-甲基-4-(2,6,6-三甲基-2-环己烯-1-基)-3-丁烯-2-酮

analytical standard

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别名:
α-丙酮, 异甲基-α-紫罗兰酮
经验公式(希尔记法):
C14H22O
CAS号:
分子量:
206.32
EC 号:
MDL编号:
PubChem化学物质编号:
NACRES:
NA.24

等级

analytical standard

质量水平

检测方案

≥90.0% (GC)

保质期

limited shelf life, expiry date on the label

折射率

n20/D 1.495-1.505

密度

0.93 g/mL at 20 °C (lit.)

应用

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

格式

neat

SMILES字符串

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

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一般描述

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.

应用

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.

象形图

Environment

危险声明

预防措施声明

危险分类

Aquatic Chronic 2

储存分类代码

10 - Combustible liquids

WGK

WGK 2

闪点(°F)

230.5 °F - closed cup

闪点(°C)

110.3 °C - closed cup


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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)
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)
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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