Whiskey Lactone CAS #39212-23-2

Cis – 3-Methyl-4-octanolide, also known as cis- β- methyl- γ- Octalactone or 5-butyldihydro-4-methylfuran-2 (3 H) – one, a compound of lactone family, chemical formula C9H16O2. It exists as two optical isomers: 3 R, 4 R (“+”) and 3 S, 4 S (“-“).

3S, 4S isomers, commonly known as whisky lactone or oak lactone, are important components in the aroma of whisky (first discovered by Suomalainen and Nyk ä nen in 1970) and other alcoholic beverages aged in oak barrels. It is sometimes added to wine as a flavoring. It has the aroma of coconut, celery or fresh wood, and can be detected by human body when the concentration in the air is 1 microgram/l. The mixture of cis and trans isomers can repel mosquitoes and flies.

Whiskey Lactone CAS #39212-23-2

Whiskey lactone Basic information
Product Name: Whiskey lactone
Synonyms: beta-Methyl-gamma-octanolactone;WHISKEY LACTONE;rac-(3R*,4S*)-3-Methyl-4-hydroxyoctanoic acid 1,4-lactone;rac-(4R*)-4β*-Methyl-5α*-butyloxolane-2-one;rac-(4S*,5R*)-4α*-Methyl-5β*-butyl-4,

5-dihydrofuran-2(3H)-one;rac-5β*-Butyldihydro-4α*-methyl-2(3H)-furanone;trans-Oak lactone;4-Methyl-5-butyl-4,5-dihydrofuran-2(3H)-one

CAS: 39212-23-2
MF: C9H16O2
MW: 156.22
EINECS: 254-357-4
Product Categories:
Mol File: 39212-23-2.mol
Whiskey lactone Structure
Whiskey lactone Chemical Properties
Boiling point 93-94 °C5 mm Hg(lit.)
density 0.952 g/mL at 25 °C(lit.)
refractive index n20/D 1.4454(lit.)
FEMA 3803 | 4-HYDROXY-3-METHYLOCTANOIC ACID LACTONE
Fp >230 °F
form clear liquid
color Colorless to Almost colorless
Odor at 10.00 % in dipropylene glycol. tonka coumarin coconut toasted nutty celery burnt
Odor Type tonka
JECFA Number 437
LogP 1.81
CAS DataBase Reference 39212-23-2(CAS DataBase Reference)
NIST Chemistry Reference 2(3H)-furanone, 5-butyldihydro-4-methyl-(39212-23-2)
EPA Substance Registry System 2(3H)-Furanone, 5-butyldihydro-4-methyl- (39212-23-2)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36-37/39
WGK Germany 2
HS Code 2932190090