93192

α-Cetone

odorant used in allergy studies

• Synonim(y): 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, α-Cetone, Isomethyl-α-ionone
• Wzór empiryczny (zapis Hilla): C₁₄H₂₂O
• Numer CAS: 127-51-5
• Masa cząsteczkowa: 206.32
• NACRES: NA.52
• PubChem Substance ID: 57653524
• UNSPSC Code: 12352200
• EC Number: 204-846-3
• MDL number: MFCD00034582

Właściwości

• grade: Molecular Biology
• Quality Segment: 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

Opis

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.[1]

Application

Suitable for

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

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Informacja o środkach bezpieczeństwa

• pictograms: GHS09
• hcodes: H411
• pcodes: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Klasa składowania: 10 - Combustible liquids
• wgk: WGK 2
• flash_point_f: 230.5 °F - closed cup
• flash_point_c: 110.3 °C - closed cup
• ppe: Eyeshields, Gloves