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

4-furfuryl thio-2-pentanone
4-[(2-furanylmethyl)thio]-2-pentanone

Supplier Sponsors

CAS Number: 180031-78-1Picture of molecule3D/inchi
FDA UNII:W5N093JFRP
Nikkaji Web:J1.544.260C
XlogP3-AA:1.60 (est)
Molecular Weight:198.28498000
Formula:C10 H14 O2 S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Register name to be changed to 4-[(2-furanylmethyl)thio]-2-pentanone. Racemate (EFFA, 2010a).
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:1084 4-[(2-furanylmethyl)thio]-2-pentanone
FLAVIS Number:13.196 (Old)
DG SANTE Food Flavourings:13.196 4-(furfurylthio) pentan-2-one
FEMA Number:3840 4-[(2-furanylmethyl)thio]-2-pentanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 4-((FURANMETHYL)THIO)-2-PENTANONE
 
Physical Properties:
Appearance:yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.08800 to 1.09600 @ 25.00 °C.
Pounds per Gallon - (est).: 9.053 to 9.120
Refractive Index:1.51300 to 1.51800 @ 20.00 °C.
Boiling Point: 288.00 to 289.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 263.00 °F. TCC ( 128.33 °C. )
logP (o/w): 1.313 (est)
Soluble in:
 alcohol
 water, 1203 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Flavor Type: meaty
meaty
Taste Description: meaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
4-[2-(Furanmethyl)thio]-2-pentanone
BOC Sciences
For experimental / research use only.
4-[(2-Furanmethyl)thio]-2-pentanone 95%
DeLong Chemicals America
4-[(2-Furanmethyl)thio]-2-pentanone
Penta International
4-FURFURYLTHIO-2-PENTANONE
Tengzhou Xiang Yuan Aroma Chemicals
4-Methyl-4-Furfurylthio-2-Pentanone
WholeChem
4-[2-(Furanmethyl)thio]-2-pentanone
 
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: flavoring agents
Recommendation for 4-furfuryl thio-2-pentanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.60 (μg/capita/day)
NOEL (No Observed Effect Level): 3.80 (mg/kg bw per day)
Structure Class: III
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: 18
 average usual ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): 0.500005.00000
beverages(alcoholic): 2.5000025.00000
breakfast cereal: 5.0000025.00000
cheese: --
chewing gum: 20.0000050.00000
condiments / relishes: --
confectionery froastings: 5.0000025.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 10.0000020.00000
imitation dairy: --
instant coffee / tea: 5.0000050.00000
jams / jellies: --
meat products: --
milk products: 5.0000020.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 5.0000020.00000
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) related to Flavouring Group Evaluation 13 (FGE.13); Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 (Commission Regulation (EC) No 1565/2000 of 18
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of “Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14” evaluated by EFSA in FGE.13Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 65, Revision 1 (FGE.65Rev1): Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of ‘Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14’ evaluated by EFSA in FGE.13Rev2 (2011)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3025939
National Institute of Allergy and Infectious Diseases:Data
4-(furan-2-ylmethylsulfanyl)pentan-2-one
Chemidplus:0180031781
 
References:
 4-(furan-2-ylmethylsulfanyl)pentan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):3025939
Pubchem (sid):135214907
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB36134
FooDB:FDB014983
ChemSpider: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
alliaceous
dimethyl trisulfide
FL/FR
burnt
rum ether
FL/FR
caramellic
strawberry furanone
FL/FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
3-
mercaptohexyl acetate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
prunus amygdalus amara seed extract
FL/FR
(E)-2-
undecenal
FL/FR
green
(E,Z)-2,6-
nonadienal
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfurol
FL/FR
sulfuryl acetate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
filbert heptenone
FL/FR
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
roasted
trigonella foenum-graecum seed oil CO2 extract
FL/FR
smoky
2,6-
dimethoxyphenol
FL/FR
pyroligneous acids
FL/FR
sulfurous
benzothiazole
FL/FR
ethyl 3-mercaptopropionate
FL/FR
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl mercaptan
FL/FR
2-(
methyl thio) phenol
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
gamma-
aminobutyric acid
FL
amyl mercaptan
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
cyclopropyl (E,Z)-2,6-nonadienamide
FL
2,5-
diethyl thiazole
FL
dimethyl tetrasulfide
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
ethyl (E,Z)-2,6-nonadienamide
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
ethyl 3-mercaptopropionate
FL/FR
ethyl 4-(acetyl thio) butyrate
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl dihydrofuran thiol
FL
2-
methyl thiazolidine
FL
2-(
methyl thio) ethanol
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-furyl tetrasulfide
FL
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
1,9-
nonane dithiol
FL
peanut dithiazine
FL
1-
phenethyl mercaptan
FL
1,3-
propane dithiol
FL
propyl 2-methyl-3-furyl disulfide
FL
iso
propyl disulfide
FL
thiazole
FL
3-
thienyl mercaptan
FL
N-(2-(3,4-
dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
4-
mercapto-2-pentanone 1% in acetoin
FL
2-
methyl-1-methyl thio-2-butene
FL
3-
methyl-1,2,4-trithiane
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
garlic oil extenders
FL
3-
mercapto-2-pentanone
FL
3-
tetrahydrothiophenone
FL
bacon
bacon reaction crispy
FL
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
rum ether
FL/FR
caramellic
strawberry furanone
FL/FR
chemical
2,5-
dimethyl furan
FL
cocoa
butyraldehyde
FL
coffee
coffee difuran
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
furfuryl mercaptan
FL/FR
methyl furfuryl mercaptopropionate
FL
methyl furfuryl thiol
FL
earthy
difurfuryl sulfide
FL
(±)-2-
mercapto-5-methylheptan-4-one
FL
1,8-
octane dithiol
FL
2-
thienyl disulfide
FL
eggy
iso
propyl mercaptan
FL
fatty
pork
fat extract
FL
4-
methyl nonanoic acid
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
fruity
2-
ethyl-2,5-dihydro-4-methyl thiazole
FL
greasy
10-
undecen-1-yl acetate
FL/FR
green
4-
methyl thiazole
FL
(E,Z)-2,6-
nonadienal
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
bacon flavor
FL
beef broth flavor
FL
BBQ
beef flavor
FL
beef flavor
FL
roast
beef flavor
FL
beef flavor base
FL
benzothiazole
FL/FR
chicken bone extract
FL
chicken extract
FL
grilled
chicken flavor
FL
chicken flavor
FL
chicken key
FL
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
2',3-
dimethyl-3',4-dioxa-2,8-dithiabicyclo(3.3.0)octane spirocyclopentane
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
ethyl 2-hydroxyethyl sulfide
FL
furfuryl 2-methyl-3-furyl disulfide
FL
ham enhancers
FL
ham flavor
FL
hot dog flavor
FL
lamb flavor
FL
liver flavor
FL
meat broth concentrates
FL
meat flavors
FL
meaty dithiane
FL/FR
meaty enhancers
FL
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
3-
mercapto-3-methyl butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
2-(
methyl thio) phenol
FL/FR
methyl thiofuryl butanal
FL
12-
methyl tridecanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
phenyl mercaptan
FL
pork flavor
FL
roasted
pork flavor
FL
grilled
pork flavor
FL
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
rabbit flavor
FL
grilled
steak flavor
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
roast
turkey flavor
FL
smoked
turkey flavor
FL
turkey flavor
FL
veal flavor
FL
venison flavor
FL
medicinal
2,6-
dimethoxyphenol
FL/FR
metallic
2,5-
dihydroxy-1,4-dithiane
FL
moldy
strawberry furanone methyl ether
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
2-
acetyl-4-methyl thiazole
FL
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
2,6-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
filbert heptenone
FL/FR
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
nutty thiazole
FL
prunus amygdalus amara seed extract
FL/FR
onion
furfuryl isopropyl sulfide
FL
phenolic
2-
ethyl benzene thiol
FL
popcorn
2-
propionyl-2-thiazoline
FL
roasted
3,5-
diisobutyl-1,2,4-trithiolane
FL
furfuryl thioacetate
FL/FR
hexyl mercaptan
FL
trigonella foenum-graecum seed oil CO2 extract
FL/FR
savory
N-(2,4-
dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N-(
heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL
2,4,6-
triethyl tetrahydro-1,3,5-dithiazine
FL
smoky
pyroligneous acids
FL/FR
spicy
hot spicy
beef flavor
FL
sulfurous
2,3-
butane dithiol
FL
butyl mercaptan
FL
S-
ethyl thioacetate
FL
fish thiol
FL/FR
furfuryl thiopropionate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl mercaptan
FL/FR
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
3-
pentane thiol
FL
roasted butanol
FL
tropical
3-
mercaptohexyl acetate
FL/FR
vegetable
tyramine
FL
waxy
(E)-2-
undecenal
FL/FR
yeasty
faex extracts
FL
 
Potential Uses:
FLmeat
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 furan methyl thiopentanone
4-((2-furan methyl) thio)-2-pentanone
4-(furan-2-yl methyl sulfanyl) pentane-2-one
4-(furan-2-ylmethylsulfanyl)pentan-2-one
4-(furan-2-ylmethylsulfanyl)pentane-2-one
4-(furan-2-ylmethylthio)pentan-2-one
4-((2-furanmethyl)thio)-2-pentanone
4-[(2-furanmethyl)thio]-2-pentanone
4-[2-(furanmethyl)thio]-2-pentanone
 furanmethylthiopentanone
4-((2-furanylmethyl)thio)-2-pentanone
4-[(2-furanylmethyl)thio]-2-pentanone
4-furfurylthio-2-pentanone
4-(furfurylthio) pentan-2-one
4-(furfurylthio)-2-pentanone
4-[(2-furylmethyl)thio]pentan-2-one
4-(2-furylmethylthio)pentan-2-one
 

Articles:

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Notes:
Odorous substance used in coffee compositions. Food flavouring agent
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