Whiskey Lactone CAS #39212-23-2
Cis ?C 3-Methyl-4-octanolide, also known as cis- ??- methyl- ??- Octalactone or 5-butyldihydro-4-methylfuran-2 (3 H) ?C 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 ? 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*)-4??*-Methyl-5??*-butyloxolane-2-one;rac-(4S*,5R*)-4??*-Methyl-5??*-butyl-4,
5-dihydrofuran-2(3H)-one;rac-5??*-Butyldihydro-4??*-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 |
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| 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 |
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