cis-oak lactone, 55013-32-6

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Name:	(4R,5R)-5-butyl-4-methyloxolan-2-one
CAS Number:	55013-32-6	3D/inchi
FDA UNII:	O93PZ85MTG
Nikkaji Web:	J259.451J
XlogP3-AA:	2.50 (est)
Molecular Weight:	156.22492000
Formula:	C9 H16 O2
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	245.00 to 247.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.002000 mmHg @ 25.00 °C. (est)
Flash Point:	204.00 °F. TCC ( 95.56 °C. )
logP (o/w):	2.631 (est)
Soluble in:
	alcohol
	water, 1387 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: spicy

sweet spicy coconut vanilla

Odor Description:at 1.00 % in propylene glycol. sweet spicy coconut vanilla

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

None found

Safety Information:


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

Safety in Use Information:

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

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

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :41285

National Institute of Allergy and Infectious Diseases:Data

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

Chemidplus:0055013326

References:

	(4R,5R)-5-butyl-4-methyloxolan-2-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	41285
Pubchem (sid):	135003947
Flavornet:	55013-32-6

Other Information:

(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:	FDB029743
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

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

oak wood
Search PMC Picture

Synonyms:

cis-5-	butyl dihydro-4-methyl-2(3H)-furanone
5-	butyl-4-methyldihydrofuran-2(3H)-one, (Z)-
(4R,5R)-5-	butyl-4-methyloxolan-2-one
5-	butyldihydro-4-methyl-2(3H)-furanone (cis)
cis-5-	butyldihydro-4-methylfuran-2(3H)-one
2(3H)-	furanone, 5-butyldihydro-4-methyl-, (4R,5R)-rel-
2(3H)-	furanone, 5-butyldihydro-4-methyl-, cis-
cis-3-	methyl-4-octanolide
cis-beta-	methyl-gamma-octalactone
beta-	methyl-gamma-octalactone, cis-
cis-	methyloctanolide
cis-	oaklactone
cis-	quercus lactone
(+)-cis-	whiskey lactone
(+)-cis-	whisky lactone

Articles:

PubMed:In-depth search focused on furans, lactones, volatile phenols, and acetals as potential age markers of Madeira wines by comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry combined with solid phase microextraction.

PubMed:Quantitative analysis of beta-d-glucopyranoside of 3-methyl-4-hydroxyoctanoic acid, a potential precursor to cis-oak lactone, in oak extracts using liquid chromatography-tandem mass spectrometry based stable isotope dilution analysis.

PubMed:Identification of natural oak lactone precursors in extracts of american and French oak woods by liquid chromatography-tandem mass spectrometry.

PubMed: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.

PubMed:Maturing wines in oak barrels. Effects of origin, volume, and age of the barrel on the wine volatile composition.

PubMed:Determination of oak lactones in barrel-aged wines and in oak extracts by stable isotope dilution analysis.

Notes:

Flavouring compound [Flavornet]

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cis-oak lactone 2(3H)-furanone, 5-butyldihydro-4-methyl-, (4R,5R)-rel-

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Articles:

cis-oak lactone
2(3H)-furanone, 5-butyldihydro-4-methyl-, (4R,5R)-rel-