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16797

Supelco

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

analytical standard

Sinonimo/i:

α-Cetone, Isomethyl-α-ionone

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About This Item

Formula empirica (notazione di Hill):
C14H22O
Numero CAS:
Peso molecolare:
206.32
Numero CE:
Numero MDL:
Codice UNSPSC:
85151701
ID PubChem:
NACRES:
NA.24

Grado

analytical standard

Livello qualitativo

Saggio

≥90.0% (GC)

Durata

limited shelf life, expiry date on the label

Indice di rifrazione

n20/D 1.495-1.505

Densità

0.93 g/mL at 20 °C (lit.)

applicazioni

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

Formato

neat

Stringa SMILE

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+
JRJBVWJSTHECJK-PKNBQFBNSA-N

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Descrizione generale

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.

Applicazioni

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.

Pittogrammi

Environment

Indicazioni di pericolo

Consigli di prudenza

Classi di pericolo

Aquatic Chronic 2

Codice della classe di stoccaggio

10 - Combustible liquids

Classe di pericolosità dell'acqua (WGK)

WGK 2

Punto d’infiammabilità (°F)

230.5 °F - closed cup

Punto d’infiammabilità (°C)

110.3 °C - closed cup


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Journal of Agricultural and Food Chemistry, 53(14), 5487-5491 (2005)
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Lamas JP, et al.
Journal of Chromatography A, 1217(52), 8087-8094 (2010)
Determination of fragrance allergens and their dermal sensitization quantitative risk assessment (QRA) in 107 spray perfumes
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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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