3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
[CAS# 127-51-5]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Ketone fragrance >> Decenone
• Name: 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
• Synonyms: Cetone Alpha; Isomethyl-alpha-ionone; NSC 66432
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.32
• CAS Registry Number: 127-51-5
• EC Number: 204-846-3

Properties

• Solubility: Very slightly soluble (0.16 g/L) (25 ºC), Calc.^*
• Density: 0.929±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 121-122 ºC (9 Torr)^**
• Refractive index: 1.50188 (589.3 nm 20 ºC)^***
• Flash point: 122.1±17.5 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)

^** Koster, H.; Riechstoff-Ind. 1935, V10, P159.

^*** Naves, Yves Rene; Bulletin de la Societe Chimique de France 1951, P247-50.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Chronic hazardous to the aquatic environment	Aquatic Chronic	2	H411
Skin sensitization	Skin Sens.	1B	H317
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2	H319
Skin sensitization	Skin Sens.	1	H317
Chronic hazardous to the aquatic environment	Aquatic Chronic	3	H412