trans-oak lactone

General Material Information

Preferred name	trans-oak lactone
Trivial Name	(4S,5R)-5-butyl-4-methyloxolan-2-one
Short Description	trans-3-methyl-4-octanolide
Formula	C9 H16 O2
CAS Number	39638-67-0
FDA UNII	7A29T3GS95
Nikkaji Number	J181.415J
Beilstein Number	4661547
MDL	MFCD28010977
NMR Predictor	External link
Synonyms	trans-5-butyl dihydro-4-methyl-2(3H)-furanone (4S,5R)-5-butyl-4-methyloxolan-2-one 2(3H)- furanone, 5-butyldihydro-4-methyl-, (4S,5R)- trans-3-methyl octanoic acid-gamma-lactone trans- oaklactone trans- quercus lactone (+)-trans- whiskey lactone (+)-trans- whisky lactone

Publications by PubMed
Aroma potential of oak battens prepared from decommissioned oak barrels.
Identification of natural oak lactone precursors in extracts of american and French oak woods by liquid chromatography-tandem mass spectrometry.
Volatile composition and contribution to the aroma of spanish honeydew honeys. Identification of a new chemical marker.
Utilization of a 1,2-dioxine for the synthesis of the four possible stereoisomers of oak lactone.
Rates of formation of cis- and trans-oak lactone from 3-methyl-4-hydroxyoctanoic acid.
The effects of sample preparation and gas chromatograph injection techniques on the accuracy of measuring guaiacol, 4-methylguaiacol and other volatile oak compounds in oak extracts by stable isotope dilution analyses.
Extraction and formation dynamic of oak-related volatile compounds from different volume barrels to wine and their behavior during bottle storage.
Determination of oak lactones in barrel-aged wines and in oak extracts by stable isotope dilution analysis.

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB029720
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View
EFSA Update of results on the monitoring of furan levels in food:	Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:	Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:	Read Report

Material listed in food chemical codex	No
Molecular weight	156.22491455078
Vapor Pressure	0.027 mmHg @ 25 °C
Flash Point TCC Value	95.6 °C TCC
logP (o/w)	1.968 est
Solubility
water, 1387 mg/L @ 25 °C (est)	Yes

Odor Type: Coconut
spicy, coconut, clove, celery, incense
General comment	At 1.00 %. spicy coconut clove celery incense


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Category:
natural substances and extractives
Recommendation for trans-oak lactone usage levels up to:
	not for fragrance use.

Recommendation for trans-oak lactone flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :11084123

National Institute of Allergy and Infectious Diseases:Data

(4S,5R)-5-butyl-4-methyloxolan-2-one

Chemidplus:0039638670