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16797

Supelco

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

analytical standard

Sinônimo(s):
α-Cetone, Isomethyl-α-ionone
Empirical Formula (Hill Notation):
C14H22O
Número CAS:
Peso molecular:
206.32
Número EC:
Número MDL:
ID de substância PubChem:
NACRES:
NA.24

grau

analytical standard

Nível de qualidade

100

teor

≥90.0% (GC)

prazo de validade

limited shelf life, expiry date on the label

índice de refração

n20/D 1.495-1.505

densidade

0.93 g/mL at 20 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

formato

neat

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

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Descrição geral

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.

Aplicação

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.

Pictogramas

Exclamation mark

Palavra indicadora

Warning

Frases de perigo

Classificações de perigo

Skin Sens. 1

Código de classe de armazenamento

10 - Combustible liquids

WGK

WGK 2

Ponto de fulgor (ºF)

Not applicable

Ponto de fulgor (ºC)

Not applicable

Certificado de análise

Certificado de origem

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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