2,5-dimethyl-3-thiofuroyl furan
2,5-dimethyl-3-thiofuroylfuran

Sponsors

Name: 3-(2-furoylthio)-2,5-dimethylfuran
CAS Number: 65505-16-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 265-796-6
FDA UNII: UKO0R8C89U
Nikkaji Web: J307.421H
CoE Number: 2323
XlogP: 1.60 (est)
Molecular Weight: 222.26330000
Formula: C11 H10 O3 S
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated (S)-2,5-dimethyl-3-thiofuroylfuran (CASrn as in Register). Register CASrn refers to the (S)-enantiomer. Register name to be changed to (S)-2,5-dimethyl-3-thiofuroylfuran.
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: 1071 2,5-dimethyl-3-thiofuroylfuran
Flavis Number: 13.040 (Old)
DG SANTE Food Flavourings: 13.040 2,5-dimethyl-3-thiofuroylfuran
 
Physical Properties:
Appearance: yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 1.04700 to 1.05800 25.00 °C.
Pounds per Gallon - (est).: 8.712 to 8.804
Refractive Index: 1.51200 to 1.51900 @ 20.00 °C.
Boiling Point: 79.00 to 83.00 °C. @ 0.70 mm Hg
Vapor Pressure: 0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 262.00 °F. TCC ( 127.78 °C. )
logP (o/w): 2.506 (est)
Soluble in:
 alcohol
 water, 12.99 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: coffee
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 coffee meaty roasted meaty
Odor Description:
at 0.10 % in dipropylene glycol.
coffee roasted meaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,5-Dimethyl-3-thiofuroylfuran
DeLong Chemicals America
2,5-Dimethyl-3-thiofuroylfuran, Kosher
M&U International
2,5-DIMETHYL-3-THIOFUROYL FURAN, Kosher
Parchem
2,5-dimethyl-3-thiofuroyl furan
Penta International
2,5-DIMETHYLTHIOFUROYLFURAN, Kosher
 
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:
gavage-mouse LD50 [sex: M,F] 625 mg/kg
(Fogleman & Suppers, 1974b)

gavage-mouse LD50 [sex: M,F] 625 mg/kg
(Fogleman & Suppers, 1974a)

gavage-mouse LD50 [sex: M,F] 540 mg/kg
(Moran et al., 1980)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2,5-dimethyl-3-thiofuroyl furan 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): 0.01 (μg/capita/day)
NOEL (No Observed Effect Level): 0.74 (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: 10
 average usual ppmaverage maximum ppm
baked goods: -0.20000
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: -0.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.20000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.20000
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 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 Substance Registry Services (TSCA): 65505-16-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 53230316
National Institute of Allergy and Infectious Diseases: Data
 3-(2-furoylthio)-2,5-dimethylfuran
Chemidplus: 0065505160
 
References:
 3-(2-furoylthio)-2,5-dimethylfuran
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 65505-16-0
Pubchem (cid): 53230316
Pubchem (sid): 135194486
 
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
HMDB (The Human Metabolome Database): HMDB10382
FooDB: FDB019210
Export Tariff Code: 2932.19.0000
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
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
2-
acetyl-6-methyl pyrazine
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
S-
ethyl 2-acetyl aminoethane thioate
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-
formyl pyrrole
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
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
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
1,9-
nonane dithiol
FL
1-
phenethyl mercaptan
FL
iso
propyl disulfide
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
pyrazines mixture
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
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
3-
mercapto-2-pentanone
FL
3-
tetrahydrothiophenone
FL
burnt
bacon dithiazine
FL
furfuryl alcohol
FL
1,6-
hexane dithiol
FL
2-
methyl quinoxaline
FL
caramellic
caramel furanone
FL
chemical
2,5-
dimethyl furan
FL
coffee
coffee distillates
FL
coffee pyrazine
FL
difurfuryl ether
FL
diisoamyl thiomalate
FL
2,4-
dimethyl thiazole
FL
methyl furfuryl thiol
FL
2-
thiophene thiol
FL
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
2-
pentyl thiophene
FL
fruity
furfuryl isobutyrate
FL
furfuryl isovalerate
FL
furfuryl propionate
FL
green
4-
methyl thiazole
FL
2-
methyl-5-isopropyl pyrazine
FL
4-
penten-1-yl acetate
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
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
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
methyl 3-(methyl thio) furan
FL
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
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
molasses
molasses blackstrap
FL
mustard
furfuryl methyl ether
FL
musty
2-
ethoxythiazole
FL
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-4-methyl thiazole
FL
3,5(6)-
cocoa pyrazine
FL
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
1-
ethyl-2-acetyl pyrrole
FL
nutty thiazole
FL
onion
furfuryl isopropyl sulfide
FL
phenolic
2-
ethyl benzene thiol
FL
popcorn
2-
propionyl-2-thiazoline
FL
radish
3-(
methyl thio) propyl mercaptoacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
hexyl mercaptan
FL
smoky
prosopis juliflora wood extract
FL
solvent
2-
ethyl furan
FL
sulfurous
2,3-
butane dithiol
FL
butyl mercaptan
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
furfuryl thiopropionate
FL
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
roasted butanol
FL
2-
thienyl mercaptan
FL
vegetable
tyramine
FL
wasabi
2-(
methyl thio) ethyl acetate
FL
yeasty
faex extracts
FL
 
Potential Uses:
 coffeeFL
 meat 
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
S-(2,5-dimethyl-3-furanyl) 2-furancarbothioate
S-2,5-dimethyl-3-furyl thio-2-furoate
S-(2,5-dimethyl-3-furyl) furan-2-carbothioate
S-(2,5-dimethyl-3-furyl) thio-2-furoate
S-(2,5-dimethyl-3-furyl) thio-3-furoate
2,5-dimethyl-3-thiofuroylfuran
2,5-dimethylthiofuroylfuran
3-furan carbothioic acid S-(2,5-dimethyl-3-furanyl) ester
2-furancarbothioic acid, S-(2,5-dimethyl-3-furanyl) ester
3-(2-furoylthio)-2,5-dimethylfuran
 

Articles:

 None found yet.
 
Notes:
Flavouring agent with hydrolysed vegetable-type aroma and flavour
 
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