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3-((2-methyl-3-furyl)thio)-4-heptanone
3-[(2-methyl-3-furyl)thio]heptan-4-one

Supplier Sponsors

Name:3-(2-methylfuran-3-yl)sulfanylheptan-4-one
CAS Number: 61295-41-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:262-690-1
FDA UNII:P0X95DWC8T
Nikkaji Web:J73.663E
MDL:MFCD01723735
CoE Number:11922
XlogP3-AA:3.40 (est)
Molecular Weight:226.33886000
Formula:C12 H18 O2 S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
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
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
JECFA Food Flavoring:1085 3-[(2-methyl-3-furyl)thio]-4-heptanone
FLAVIS Number:13.077 (Old)
DG SANTE Food Flavourings:13.077 3-[(2-methyl-3-furyl)thio]heptan-4-one
FEMA Number:3570 3-[(2-methyl-3-furyl)thio]-4-heptanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):61295-41-8 ; 3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.04100 to 1.04500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.662 to 8.695
Refractive Index:1.49600 to 1.50200 @ 20.00 °C.
Boiling Point: 85.00 to 86.00 °C. @ 0.30 mm Hg
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 268.00 °F. TCC ( 131.11 °C. )
logP (o/w): 3.532 (est)
Soluble in:
 alcohol
 water, 45.25 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: meaty
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
meaty roasted meaty meaty
Odor Description:at 0.10 % in propylene glycol. roasted meaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-(2-Methyl-3-furylthio)-4-heptanone
Endeavour Specialty Chemicals
3-(2-Methyl-furan-3-ylsulfanyl)heptan-4-one
Speciality Chemical Product Groups
Parchem
3-((2-methyl-3-furyl)thio)-4-heptanone
Santa Cruz Biotechnology
For experimental / research use only.
3-((2-Methyl-3-furyl)thio)-4-heptanone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
Preferred SDS: View
 
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:
gavage-mouse LD50 [sex: M,F] 425 mg/kg
(Moran et al., 1980)

oral-mouse LD50 425 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 3-((2-methyl-3-furyl)thio)-4-heptanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.90 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.70 (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: 11
 average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -1.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: --
nut products: -1.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -1.00000
soft candy: --
soups: -1.00000
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 :43598
National Institute of Allergy and Infectious Diseases:Data
3-(2-methylfuran-3-yl)sulfanylheptan-4-one
Chemidplus:0061295418
 
References:
 3-(2-methylfuran-3-yl)sulfanylheptan-4-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:61295-41-8
Pubchem (cid):43598
Pubchem (sid):135004982
 
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):HMDB37158
FooDB:FDB016153
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
methyl furfuryl disulfide
FL/FR
burnt
rum ether
FL/FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
coffee
coffee difuran
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
earthy
nutty pyrazine
FL/FR
fermented
ethyl crotonate
FL/FR
fruity
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
2-
heptyl furan
FL/FR
(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
2-
ethyl pyrazine
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
phenolic
2,3-
dimethyl benzofuran
FL/FR
ortho-
guaiacol
FL/FR
4-
vinyl phenol
FL/FR
smoky
pyroligneous acids
FL/FR
sulfurous
benzothiazole
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl 3-mercaptopropionate
FL/FR
fish thiol
FL/FR
2-
mercaptopropionic acid
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
2-(
methyl thio) phenol
FL/FR
1-
phenethyl mercaptan
FL/FR
tobacco
methyl benzoxole
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
amyl mercaptan
FL
1,2-
butane dithiol
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
2,5-
diethyl thiazole
FL
dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine
FL
dimethyl tetrasulfide
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
ethyl 3-mercaptopropionate
FL/FR
2-
ethyl-3-methyl thiopyrazine
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
2-
hexyl thiophene
FL
1-(3-
hydroxy-5-methyl-2-thienyl) ethanone
FL
3-
mercapto-3-methyl butyl formate
FL
4-
mercapto-3-methyl-2-butanol
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl dihydrofuran thiol
FL
2-
methyl thiazolidine
FL
2-
methyl-1-butane thiol
FL
4-
methyl-2-(methyl thiomethyl)-2-hexenal
FL
2-
methyl-2-thiazoline
FL
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
1,9-
nonane dithiol
FL
1-
phenethyl mercaptan
FL/FR
iso
propyl disulfide
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
thiazole
FL
3-
thienyl mercaptan
FL
thioacetic acid
FL
3,5-
diisopropyl-1,2,4-trithiolane
FL
3,5-
dimethyl-1,2,4-trithiolane
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
2,4-
dimethyl-3-oxazoline
FL
4-
mercapto-2-pentanone 1% in acetoin
FL
2-
methyl-1-methyl thio-2-butene
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
dimethyl trisulfide
FL/FR
3-
mercapto-2-pentanone
FL
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
rum ether
FL/FR
chemical
2,3-
dimethyl benzofuran
FL/FR
2,5-
dimethyl furan
FL
coffee
coffee difuran
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
methyl furfuryl disulfide
FL/FR
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
2-
heptyl furan
FL/FR
4-
methyl nonanoic acid
FL/FR
2-
pentyl thiophene
FL
fruity
tropical trithiane
FL/FR
green
4-
methyl thiazole
FL
(E,Z)-2,6-
nonadienal
FL/FR
4-
penten-1-yl acetate
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
benzothiazole
FL/FR
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
furfuryl 2-methyl-3-furyl disulfide
FL
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-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
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
moldy
strawberry furanone methyl ether
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
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
2-
ethyl pyrazine
FL/FR
methyl benzoxole
FL/FR
nutty pyrazine
FL/FR
nutty thiazole
FL
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
phenolic
2-
ethyl benzene thiol
FL
4-
vinyl phenol
FL/FR
popcorn
2-
propionyl-2-thiazoline
FL
radish
3-(
methyl thio) propyl mercaptoacetate
FL
roasted
hexyl mercaptan
FL
rummy
ethyl crotonate
FL/FR
smoky
prosopis juliflora wood extract
FL
pyroligneous acids
FL/FR
sulfurous
2,3-
butane dithiol
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
fish thiol
FL/FR
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
roasted butanol
FL
vegetable
tyramine
FL
wasabi
2-(
methyl thio) ethyl acetate
FL
woody
ortho-
guaiacol
FL/FR
yeasty
faex extracts
FL
 
Potential Uses:
FLmeat
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,3-diethyl acetonyl 2-methyl-3-furyl sulfide
1,3-diethylacetonyl 2-methyl-3-furyl sulfide
1,3-diethylacetonyl 3-methyl-3-furyl sulfide
4-heptanone, 3-[(2-methyl-3-furanyl)thio]-
4-heptanone, 3-[(2-methyl-3-furyl)thio]-
3-((2-methyl-3-furyl)sulfanyl) heptan-4-one
3-[(2-methyl-3-furyl)sulfanyl]heptan-4-one
3-((2-methyl-3-furyl)thio) heptan-4-one
3-[(2-methyl-3-furyl)thio]-4-heptanone
3-[(2-methyl-3-furyl)thio]heptan-4-one
3-(2-methyl-3-furylthio)-4-heptanone
3-(2-methylfuran-3-yl)sulfanylheptan-4-one
3-(2-methylfuran-3-ylsulfanyl)heptan-4-one
 

Articles:

 None found yet.
 
Notes:
Meat flavouring ingredient
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