16797

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

analytical standard

• Synonym(s): α-Cetone, Isomethyl-α-ionone
• Empirical Formula (Hill Notation): C₁₄H₂₂O
• CAS Number: 127-51-5
• Molecular Weight: 206.32
• EC Number: 204-846-3
• MDL number: MFCD00034582
• UNSPSC Code: 85151701
• PubChem Substance ID: 329751380
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥90.0% (GC)
• shelf life: limited shelf life, expiry date on the label
• refractive index: n20/D 1.495-1.505
• density: 0.93 g/mL at 20 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: 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

Description

General description

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.

Safety Information

• pictograms: GHS09
• hcodes: H411
• pcodes: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 230.5 °F - closed cup
• flash_point_c: 110.3 °C - closed cup