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

SIAL/16797 - analytical standard

Synonym: 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	Quantity


45-16797-1ML	1 mL	$78.80 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

application(s)	cleaning products cosmetics flavors and fragrances food and beverages personal care
assay	≥90.0% (GC)
density	0.93 g/mL at 20 °C (lit.)
format	neat
grade	analytical standard
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
refractive index	n20/D 1.495-1.505
shelf life	limited shelf life, expiry date on the label
SMILES string	CC(=O)C(C)=CC1C(C)=CCCC1(C)C

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.
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.

RIDADR	NONH for all modes of transport
WGK Germany	WGK 2
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥90.0% (GC)
Density	0.93 g/mL at 20 °C (lit.)
Refractive Index	n20/D 1.495-1.505
UNSPSC	85151701

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