16797

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

analytical standard

• Synonyme(s) : α-Cetone, Isomethyl-α-ionone
• Formule empirique (notation de Hill): C₁₄H₂₂O
• Numéro CAS: 127-51-5
• Poids moléculaire : 206.32
• Numéro CE : 204-846-3
• Numéro MDL: MFCD00034582
• Code UNSPSC : 85151701
• ID de substance PubChem : 329751380
• Nomenclature NACRES : NA.24

Propriétés

• Qualité: analytical standard
• Niveau de qualité: 100
• Pureté: ≥90.0% (GC)
• Durée de conservation: limited shelf life, expiry date on the label
• Indice de réfraction: n20/D 1.495-1.505
• Densité: 0.93 g/mL at 20 °C (lit.)
• Application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• Format: neat
• Chaîne SMILES: 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+
• Clé InChI: JRJBVWJSTHECJK-PKNBQFBNSA-N

Description

Description générale

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.

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.

Informations sur la sécurité

• Pictogrammes: GHS09
• Mentions de danger: H411
• Conseils de prudence: P273 - P391 - P501
• Classification des risques: Aquatic Chronic 2
• Code de la classe de stockage: 10 - Combustible liquids
• Classe de danger pour l'eau (WGK): WGK 2
• Point d'éclair (°F): 230.5 °F - closed cup
• Point d'éclair (°C): 110.3 °C - closed cup