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

2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2,6-dimethyl-3-[(2-methyl-3-furyl)thio]-4-heptanone

Supplier Sponsors

Name:2,6-dimethyl-3-(2-methylfuran-3-yl)sulfanylheptan-4-one
CAS Number: 61295-51-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:262-692-2
FDA UNII: 72879F3Z2G
Nikkaji Web:J268.431D
CoE Number:11915
XlogP3-AA:4.30 (est)
Molecular Weight:254.39274000
Formula:C14 H22 O2 S
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
According to JECFA: Min. assay value is "94%" and secondary components "2,6-Dimethyl-2-[(2-methyl-3-furyl)thio]-4-heptanone". Composition of mixture to be specified. At least 94%; secondary component at least 1% 2,6-dimethyl-2-[(2-methyl-3-furyl)thio]-4-heptanone. (EFSA) Racemate (EFFA, 2010a). According to JECFA: Min. Assay value is ‘94’ and secondary components ‘2,6-Dimethyl-2-[(2-methyl-3-furyl)thio]-4-heptanone’.
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1086 2,6-dimethyl-3-[(2-methyl-3-furyl)thio]-4-heptanone
DG SANTE Food Flavourings:13.075 2,6-dimethyl-3-((2-methyl-3-furyl)thio)heptan-4-one
FEMA Number:3538 2,6-dimethyl-3-[(2-methyl-3-furyl)thio]-4-heptanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):61295-51-0 ; 2,6-DIMETHYL-3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 94.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00600 to 1.02200 @ 25.00 °C.
Pounds per Gallon - (est).: 8.371 to 8.504
Refractive Index:1.48800 to 1.49400 @ 20.00 °C.
Boiling Point: 90.00 to 92.00 °C. @ 0.20 mm Hg
Vapor Pressure:0.000400 mmHg @ 25.00 °C. (est)
Flash Point: 293.00 °F. TCC ( 145.00 °C. )
logP (o/w): 4.240 (est)
Soluble in:
 alcohol
 water, 6.15 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:at 0.10 % in propylene glycol. meaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
4-Heptanone,2,6-dimethyl-3-[(2-methyl-3-furanyl)thio]-
BOC Sciences
For experimental / research use only.
2,6-Dimethyl-3-[(2-methyl-3-furyl)thio]heptan-4-one
Parchem
2,6-dimethyl-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:
 
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 2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.80 (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
Click here to view publication 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

Scientific Opinion on Flavouring Group Evaluation 13 Revision 3 (FGE.13Rev3): furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

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 :62183
National Institute of Allergy and Infectious Diseases:Data
2,6-dimethyl-3-(2-methylfuran-3-yl)sulfanylheptan-4-one
Chemidplus:0061295510
 
References:
 2,6-dimethyl-3-(2-methylfuran-3-yl)sulfanylheptan-4-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:61295-51-0
Pubchem (cid):62183
Pubchem (sid):135020949
 
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37154
FooDB:FDB016149
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
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
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
2-
methyl pyrazine
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
gamma-
aminobutyric acid
FL
amyl mercaptan
FL
1,2-
butane dithiol
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
cyclopropyl (E,Z)-2,6-nonadienamide
FL
2,5-
diethyl thiazole
FL
dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine
FL
dimethyl tetrasulfide
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
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
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
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 thio) ethanol
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
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/FR
1,3-
propane dithiol
FL
iso
propyl disulfide
FL
thiazole
FL
3-
thienyl mercaptan
FL
thioacetic acid
FL
3,5-
diisopropyl-1,2,4-trithiolane
FL
N-(2-(3,4-
dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
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
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
cocoa
butyraldehyde
FL
coffee
coffee difuran
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
(E,E)-2,4-
decadienal
FL
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
herbal
massoia bark oil
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
4-
furfuryl thio-2-pentanone
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
propyl 2-methyl-3-furyl disulfide
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
2-
ethoxythiazole
FL
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
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
methyl benzoxole
FL/FR
2-
methyl pyrazine
FL/FR
nutty pyrazine
FL/FR
nutty thiazole
FL
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
methionol
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
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
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
2,4,6-
trithiaheptane 10% in triacetin
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-diisopropyl acetonyl 2-methyl-3-furyl sulfide
1,3-diisopropylacetonyl 2-methyl-3-furyl sulfide
2,6-dimethyl-3-((2-methyl-3-furyl)sulfanyl)heptan-4-one
2,6-dimethyl-3-((2-methyl-3-furyl)thio)heptan-4-one
2,6-dimethyl-3-(2-methylfuran-3-yl)sulfanylheptan-4-one
2,6-dimethyl-3-[(2-methyl-3-furyl)sulfanyl]heptan-4-one
2,6-dimethyl-3-[(2-methyl-3-furyl)thio]-4-heptanone
2,6-dimethyl-3-[(2-methyl-3-furyl)thio]heptan-4-one
4-heptanone, 2,6-dimethyl-3-[(2-methyl-3-furanyl)thio]-
3-2-methyl-3-furyl thio-2,6-dimethyl-1,4-heptanone
3-((2-methyl-3-furyl)thio)-2,6-dimethyl-4-heptanone
3-[(2-methyl-3-furyl)thiol]-2,6-dimethyl-4-heptanone
 
 
Notes:
Flavouring ingredient
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