α-Cetone

SIGMA/93192 - odorant used in allergy studies

Synonym: 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one; α-Cetone; Isomethyl-α-ionone

CAS Number: 127-51-5
Empirical Formula (Hill Notation): C₁₄H₂₂O
Molecular Weight: 206.32
EC Number: 204-846-3
MDL Number: MFCD00034582
Linear Formula: C₁₄H₂₂O
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-93192-10ML-F	10 mL	$49.50 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

composition	iso-ɑ-methylionone, ≥85%
	iso-β-methylionone, ≤10%
density	0.93 g/mL at 20 °C (lit.)
form	liquid
grade	Molecular Biology
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
Quality Level	100
SMILES string	CC(=O)C(C)=CC1C(C)=CCCC1(C)C
storage temp.	room temp

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

Symbol	GHS07
Signal word	Warning
Hazard statements	H317 - H412
Precautionary statements	P273 - P280 - P302 + P352
Hazard Codes	Xi
Risk Statements	43
Safety Statements	36/37
RIDADR	NONH for all modes of transport
WGK Germany	WGK 2
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Density	0.93 g/mL at 20 °C (lit.)
Storage Temp.	room temp
UNSPSC	12352200

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