93192

α-Cetone

odorant used in allergy studies

• Synonym(s): 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, 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: 12352200
• PubChem Substance ID: 57653524
• NACRES: NA.52

Properties

• grade: Molecular Biology
• Quality Level: 100
• form: liquid
• composition: iso-ɑ-methylionone, ≥85% ; iso-β-methylionone, ≤10%
• density: 0.93 g/mL at 20 °C (lit.)
• storage temp.: room temp
• 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 fragrant sensitizer added frequently to deodorants and perfumes. It is one of the allergens responsible for axillary dermatitis.

Application

Suitable for

• contact sensitization studies to identify allergens present in cosmetic preparations
• elucidation of molecular pathways related to allergic reactions
• analytical standard

Safety Information

• Pictograms: GHS09
• Hazard Statements: H411
• Precautionary Statements: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 230.5 °F - closed cup
• Flash Point(C): 110.3 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves