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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

别名:

α-丙酮, 异甲基-α-紫罗兰酮

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About This Item

经验公式(希尔记法):
C14H22O
CAS号:
分子量:
206.32
EC 号:
MDL编号:
UNSPSC代码:
85151701
PubChem化学物质编号:
NACRES:
NA.24

等级

analytical standard

质量水平

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

包装形式

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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分析证书(COA)

Lot/Batch Number

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访问文档库

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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