127-51-5

Name ALPHA-ISO-METHYLIONONE
CAS 127-51-5
EINECS(EC#) 204-846-3
Molecular Formula C14H22O
MDL Number MFCD00034582
Molecular Weight 206.32
MOL File 127-51-5.mol

Chemical Properties

Boiling point  121-122℃ (9 Torr)
density  0.93 g/mL at 20 °C(lit.)
vapor pressure  0.22Pa at 20℃
FEMA  2714
refractive index  1.50188 (589.3 nm 20℃)
storage temp.  room temp
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  liquid
color  Light orange to Yellow to Green
Odor at 10.00 % in dipropylene glycol. woody violet floral
Odor Type floral
Water Solubility  27.953mg/L at 25℃
JECFA Number 404
Stability: Light Sensitive
Major Application cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
Cosmetics Ingredients Functions FRAGRANCE
PERFUMING
SKIN CONDITIONING
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+
Contact allergens
As a fragrance allergen, a-isomethylionone has to be mentioned by name in cosmetics within the EU.
InChIKey JRJBVWJSTHECJK-PKNBQFBNSA-N
SMILES CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C
LogP 4.288 at 25℃
EPA Substance Registry System 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (127-51-5)

Safety Data

Symbol(GHS)  Environment (GHS09)
GHS09
Signal word  Warning
Hazard statements  H411
Precautionary statements  P273-P391-P501
Hazard Codes  Xi
Risk Statements 
Safety Statements 
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  2
TSCA  TSCA listed
HS Code  2914.23.0000
REACH Registrations Active
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 2

Raw materials And Preparation Products

Hazard Information

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