EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

whiskey lactone
4-hydroxy-3-methyloctanoic acid gamma-lactone

Supplier Sponsors

Name:5-butyl-4-methyloxolan-2-one
CAS Number: 39212-23-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:254-357-4
FDA UNII:HKX8Y5BUAO
Nikkaji Web:J47.448G
MDL:MFCD00209540
CoE Number:10535
XlogP3-AA:2.50 (est)
Molecular Weight:156.22492000
Formula:C9 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated 4-hydroxy-3-methyloctanoic acid gammalactone (CASrn as in Register). (R)- or (S)-enantiomer not specified by Register CASrn.
Category:flavor and fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:437 4-hydroxy-3-methyloctanoic acid gamma-lactone
FLAVIS Number:10.053 (Old)
DG SANTE Food Flavourings:10.053 3-methyloctano-1,4-lactone
FEMA Number:3803 4-hydroxy-3-methyloctanoic acid gamma-lactone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):39212-23-2 ; 4-HYDROXY-3-METHYLOCTANOIC ACID LACTONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.95900 to 0.96700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.980 to 8.046
Refractive Index:1.44100 to 1.45700 @ 20.00 °C.
Boiling Point: 93.00 to 94.00 °C. @ 5.00 mm Hg
Vapor Pressure:0.027000 mmHg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 1.968 (est)
Soluble in:
 alcohol
 water, 1387 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alcohol, good
 cream rinse, excellent
 deo pump spray, good
 detergent powder, good
 fabric softener, good
 hand cream, excellent
 liquid bleach, moderate
 liquid detergent, good
 shampoo, good
 soap, good
 
Organoleptic Properties:
Odor Type: tonka
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:59 hour(s) at 100.00 %
tonka coumarinic coconut toasted nutty celery burnt
Odor Description:at 10.00 % in dipropylene glycol. tonka coumarin coconut toasted nutty celery burnt
Luebke, William tgsc, (2007)
Odor sample from: Kingchem Laboratories Inc.
coumarinic coconut lactonic woody maple lovage toasted nutty
Odor Description:Coumarinic, coconut, Iactonic, woody, maple and lovage with a slightly toasted, nutty nuance
Mosciano, Gerard P&F 22, No. 2, 69, (1997)
Flavor Type: woody
woody coumarinic coconut lactonic creamy nutty toasted
Taste Description: at 0.50 ppm. Woody, coumarinic, coconut, Iactonic, creamy and nutty with a toasted nuance
Mosciano, Gerard P&F 22, No. 2, 69, (1997)
Odor and/or flavor descriptions from others (if found).
Kingchem Laboratories
WHISKEY LACTONE
Odor Description:Warm cocoa, wine-like, maple effect of excellent tenacity
Advanced Biotech
WHISKEY LACTONE SYNTHETIC 98% min. (mixed isomers)
Odor Description:Tonka, Coconut, Toasted, Celery, Nutty, Burnt, Coumarin
Taste Description:Woody, Coconut, Creamy and Nutty with Toasted Nuance
Beverages, Alcoholic Spirits, Hard Candy
Perfumery Laboratory
Whiskey Lactone
Odor Description:Warm aroma of cocoa, wine, maple syrup
FCI SAS
WHISKY LACTONE
Odor Description:Warm coco winey odor with maple effect
Taste Description:Winey coco
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
A.C.S. International
Whiskeylactone
Odor: Woody coumarinic coconut creamy nutty toasted
Operational Capabilities
Advanced Biotech
WHISKEY LACTONE SYNTHETIC
98% min. (mixed isomers)
Odor: Tonka, Coconut, Toasted, Celery, Nutty, Burnt, Coumarin
Flavor: Woody, Coconut, Creamy and Nutty with Toasted Nuance
Beverages, Alcoholic Spirits, Hard Candy
Aromiens International
Whiskey Lactone Natural
Augustus Oils
Methyl Octalactone
Services
BOC Sciences
For experimental / research use only.
Whiskey Lactone
CJ Latta & Associates
WHISKY KETONE 1001
Ernesto Ventós
METHYL OCTALACTONE (WHISKY LACTONE)
Odor: SWEET-SPICY, COUMARIN, MAPLE
FCI SAS
WHISKY LACTONE
Odor: Warm coco winey odor with maple effect
Flavor: Winey coco
Jiangyin Healthway
4-Hydroxy-3-methyl-octalactone / 4-Methyl-5-butyl-2H-furanone -2 (Whisky Lactone )
New functional food ingredients
Keva
METHYL OCTALACTONE
Odor: has an intense sweet odour, reminiscent of coumarin and maple.
Kingchem Laboratories
WHISKEY LACTONE
Odor: Warm cocoa, wine-like, maple effect of excellent tenacity
Kun Shan P&A
Natural Whiskey Lactone
Lluch Essence
METHYL OCTALACTONE ® PFW
Lluch Essence
WHISKY LACTONA
Odor: FRUITY, SWEET, LACTONIC
M&U International
Nat. Whiskey Lactone
M&U International
Whiskey Lactone, Kosher
Moellhausen
METHYL OCTALACTONE
Odowell Co.,ltd
Whiskey Lactone
PURITY: 98%MIN.
PCW France
Methyl octalactone™
Steps to a fragranced product
Penta International
WHISKEY LACTONE
Perfumery Laboratory
Whiskey Lactone
Odor: Warm aroma of cocoa, wine, maple syrup
R C Treatt & Co Ltd
Whiskey Lactone
Reincke & Fichtner
Whiskey Lactone
Santa Cruz Biotechnology
For experimental / research use only.
Whiskey Lactone
Shanghai Vigen Fine Chemical
gamma-Whiskeylactone
Sigma-Aldrich
Whiskey lactone, ≥98%, FG
Certified Food Grade Products
Soda Aromatic
Whisky Lactone
SRS Aromatics
METHYL OCTALACTONE
Sunaux International
Whiskey Lactone
Synerzine
Whiskey Lactone
TCI AMERICA
For experimental / research use only.
β-Methyl-g-octanolactone (mixture of isomers) >98.0%(GC)
Tengzhou Xiang Yuan Aroma Chemicals
Whiskey Lactone
The John D. Walsh Company
Methyl Octalactone (Whiskey Lactone)
United International
Whiskey Lactone
WholeChem
Whisky Lactone
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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: flavor and fragrance agents
Recommendation for whiskey lactone usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 17
Click here to view publication 17
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.500003.00000
beverages(alcoholic): 1.000005.00000
breakfast cereal: --
cheese: --
chewing gum: 2.0000010.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.000005.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):39212-23-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62900
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
5-butyl-4-methyloxolan-2-one
Chemidplus:0039212232
 
References:
Leffingwell:Chirality or Article
 5-butyl-4-methyloxolan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:39212-23-2
Pubchem (cid):62900
Pubchem (sid):135143162
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB014730
YMDB (Yeast Metabolome Database):YMDB01605
Export Tariff Code:2932.29.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry: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
For Odor
amber
angelica root oil
FL/FR
cistus ladaniferus resinoid
FL/FR
animal
civet absolute
FL/FR
costus valerolactone
FR
anisic
para-
anisaldehyde
FL/FR
balsamic
amyris wood oil
FL/FR
siam
benzoin resinoid
FL/FR
benzyl cinnamate
FL/FR
benzyl salicylate
FL/FR
iso
butyl cinnamate
FL/FR
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
fir balsam absolute
FR
methyl cinnamate
FL/FR
peru balsam oil
FL/FR
styrax resinoid (liquidambar styraciflua)
FL/FR
tolu balsam
FL/FR
berry
raspberry ketone
FL/FR
buttery
acetoin
FL/FR
acetyl propionyl
FL/FR
caramellic
ethyl maltol
FL/FR
immortelle absolute
FL/FR
coconut
alpha-
angelica lactone
FL/FR
coconut decanone methyl
FR
coconut naphthalenone
FL/FR
delta-
decalactone
FL/FR
gamma-
heptalactone
FL/FR
hexahydrocoumarin
CS
gamma-
octalactone
FL/FR
delta-
octalactone
FL/FR
coumarinic
coumane
FL/FR
phthalide
FL/FR
tonka ketone
FR
fatty
4-
methyl octanoic acid
FL/FR
floral
acetophenone
FL/FR
iso
amyl salicylate
FL/FR
iso
butyl salicylate
FL/FR
cananga oil
FL/FR
dihydrojasmone
FL/FR
dihydrojasmone lactone
FL/FR
floral pyranol
FR
heliotropin
FL/FR
heliotropyl acetone
FL/FR
heliotropyl diethyl acetal
FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
lavender oil
FL/FR
para-
methyl acetophenone
FL/FR
alpha-
naphthyl methyl ketone
FL/FR
nerolidol
FL/FR
ocean propanal
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
palmarosa oil
FL/FR
phenethyl phenyl acetate
FL/FR
green
diphenyl methane
FL/FR
galbanum oil
FL/FR
heptyl heptanoate
FL/FR
3-
phenyl propionaldehyde
FL/FR
hay
hay absolute
FR
herbal
apium graveolens seed oil india
FL/FR
abrialis
lavandin oil
FL/FR
linalyl acetate
FL/FR
origanum oil greece
FL/FR
rosemary oil spain
FL/FR
mossy
oakmoss absolute
FL/FR
treemoss absolute
FR
veramoss (IFF)
FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
beta-
naphthyl methyl ether
FL/FR
phenolic
2,3-
dimethyl benzofuran
FL/FR
popcorn
2-
acetyl thiazole
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
benzyl isoeugenol
FL/FR
croton eluteria bark oil
FL/FR
cubeb oil
FL/FR
iso
eugenyl acetate
FL/FR
ginger root oil china
FL/FR
levisticum officinale root oil
FL/FR
nutmeg oil
FL/FR
terpenic
frankincense oil
FL/FR
thujonic
armoise oil
FR
tonka
6-
amyl-alpha-pyrone
FL/FR
deertongue absolute
FR
deertongue concrete
FR
deertongue oleoresin
FR
(±)-
dihydromint lactone
FL/FR
flouve absolute
FR
gamma-
hexalactone
FL/FR
7-
methyl coumarin
CS
octahydrocoumarin
FL/FR
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillyl acetate
FL/FR
waxy
phenethyl octanoate
FL/FR
tetradecanal
FL/FR
woody
cedarwood oil virginia
FR
guaiacwood oil
FL/FR
methyl cedryl ketone
FL/FR
patchouli ethanone
FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
santall
FR
spruce needle oil canada
FL/FR
tobacarol (IFF)
FR
vetiver oil haiti
FL/FR
vetiverol
FL/FR
woody acetate
FR
(Z)-
woody amylene
FR
woody propanol
FR
For Flavor
No flavor group found for these
(E)-
aconitic acid
FL
cistus ladaniferus resinoid
FL/FR
coconut naphthalenone
FL/FR
coumane
FL/FR
alpha-
naphthyl methyl ketone
FL/FR
animal
animal
civet absolute
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
benzyl salicylate
FL/FR
iso
butyl cinnamate
FL/FR
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
peru balsam oil
FL/FR
styrax resinoid (liquidambar styraciflua)
FL/FR
tolu balsam
FL/FR
berry
heliotropyl acetone
FL/FR
raspberry ketone
FL/FR
burnt
2-
methyl quinoxaline
FL
caramellic
caramel furanone
FL
caramel nut cream flavor
FL
ethyl maltol
FL/FR
chemical
2,3-
dimethyl benzofuran
FL/FR
cherry
heliotropin
FL/FR
coconut
delta-
decalactone
FL/FR
6-
methyl coumarin
FL
octahydrocoumarin
FL/FR
delta-
octalactone
FL/FR
cooling
iso
butyl salicylate
FL/FR
corn chip
2-
acetyl thiazole
FL/FR
coumarinic
phthalide
FL/FR
creamy
acetoin
FL/FR
6-
amyl-alpha-pyrone
FL/FR
alpha-
angelica lactone
FL/FR
para-
anisaldehyde
FL/FR
gamma-
hexalactone
FL/FR
para-
methyl acetophenone
FL/FR
fatty
4-
methyl octanoic acid
FL/FR
tetradecanal
FL/FR
floral
cananga oil
FL/FR
dihydrojasmone
FL/FR
linalyl acetate
FL/FR
ocean propanal
FL/FR
fruity
para-
anisyl alcohol
FL/FR
banana nut cream flavor
FL
phenethyl octanoate
FL/FR
strawberry cream nut flavor
FL
grassy
palmarosa oil
FL/FR
green
iso
amyl salicylate
FL/FR
angelica root oil
FL/FR
diphenyl methane
FL/FR
galbanum oil
FL/FR
heptyl heptanoate
FL/FR
immortelle absolute
FL/FR
nerolidol
FL/FR
oakmoss absolute
FL/FR
3-
phenyl propionaldehyde
FL/FR
herbal
apium graveolens seed oil india
FL/FR
abrialis
lavandin oil
FL/FR
lavender oil
FL/FR
origanum oil greece
FL/FR
rosemary oil spain
FL/FR
honey
phenethyl phenyl acetate
FL/FR
lactonic
(±)-
dihydromint lactone
FL/FR
gamma-
heptalactone
FL/FR
gamma-
octalactone
FL/FR
naphthyl
beta-
naphthyl methyl ether
FL/FR
nutty
macadamia nut cream flavor
FL
powdery
acetophenone
FL/FR
beta-
naphthyl ethyl ether
FL/FR
spicy
benzyl cinnamate
FL/FR
benzyl isoeugenol
FL/FR
benzylidene acetone
FL
cinnamon nut cream flavor
FL
croton eluteria bark oil
FL/FR
cubeb oil
FL/FR
iso
eugenyl acetate
FL/FR
ginger root oil china
FL/FR
levisticum officinale root oil
FL/FR
methyl cinnamate
FL/FR
nutmeg oil
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
toasted
acetyl propionyl
FL/FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanilla nut creme flavor
FL
vanillyl acetate
FL/FR
waxy
dihydrojasmone lactone
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
woody
amyris wood oil
FL/FR
frankincense oil
FL/FR
guaiacwood oil
FL/FR
methyl cedryl ketone
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
spruce needle oil canada
FL/FR
vetiver oil haiti
FL/FR
vetiverol
FL/FR
 
Potential Uses:
FLchocolate cocoa
FRcoconut
FRfloral
FRfruit
FRmaple
FRpowder
FLwhiskey
FRwoody
 
Occurrence (nature, food, other):note
 cognac
Search PMC Picture
 malt irish malt
Search PMC Picture
 rum
Search PMC Picture
 sherry
Search PMC Picture
 whiskey bourbon whiskey
Search Picture
 whiskey scotch whiskey
Search Picture
 wine port wine
Search Picture
 
Synonyms:
5-butyl dihydro-4-methyl furan-2(3H)-one
5-butyl dihydro-4-methyl-2(3H)-furanone
5-butyl-4-methyl dihydro-2(3H)-furanone
5-butyl-4-methyl-3,4,5-trihydrofuran-2-one
5-butyl-4-methyldihydro-2(3H)-furanone
5-butyl-4-methyldihydrofuran-2(3H)-one
5-butyl-4-methyloxolan-2-one
5-butyldihydro-4-methyl-2(3H)-furanone
5-butyldihydro-4-methylfuran-2(3H)-one
2(3H)-furanone, 5-butyldihydro-4-methyl-
 hydroxy-3-methyl octanoic acid lactone
4-hydroxy-3-methyl octanoic acid lactone
4-hydroxy-3-methyloctanoic acid gamma-lactone
 methyl octalactone (PFW)
3-methyl-4-octanolide
beta-methyl-alpha-octalactone
3-methyl-gamma-octalactone
3-methyloctano-1,4-lactone
 oak lactone
 oaklactone
 quercus lactone
 whiskey lactone
 whiskey lactone synthetic
 whiskeylactone
gamma-whiskeylactone
 whisky lactone
 

Articles:

Perfumer & Flavorist:Organoleptic Characteristics of Flavor Materials
Google Patents:Process for producing cis-whiskey-lactone
PubMed:Gas chromatography with mass spectrometry as a useful approach for the differentiation of wines according to geographical origin based on global volatile patterns.
PubMed:Determination of lactones in wines by headspace solid-phase microextraction and gas chromatography coupled with mass spectrometry.
PubMed:Interactions of odorants with olfactory receptors and receptor neurons match the perceptual dynamics observed for woody and fruity odorant mixtures.
PubMed:Catalytic enantioselective synthesis of naturally occurring butenolides via hetero-allylic alkylation and ring closing metathesis.
PubMed:Volatile compounds of red wines macerated with Spanish, American, and French oak chips.
PubMed:Importance of chip selection and elaboration process on the aromatic composition of finished wines.
PubMed:Analytical characterization of the aroma of five premium red wines. Insights into the role of odor families and the concept of fruitiness of wines.
PubMed:Influence of geographical origin and botanical species on the content of extractives in American, French, and East European oak woods.
PubMed:Aroma composition of red wines by different extraction methods and Gas Chromatography-SIM/MASS spectrometry analysis.
PubMed:Synthesis and analysis of thio-, thiono-, and dithio-derivatives of whiskey lactone.
PubMed:Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Key differences in the odor profiles of four high-quality Spanish aged red wines.
PubMed:Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions.
 
Notes:
Stereoisomers are flavour components of whisky and other alcoholic beverages. Used in flavouring candies and soft drinks
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