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2,5-dimethyl-3-(methyl thiol) furan
2,5-dimethyl-3-(methylthiol)furan

Supplier Sponsors

Name:2,5-dimethyl-3-methylsulfanylfuran
CAS Number: 63359-63-7Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J936.059J
XlogP3-AA:2.30 (est)
Molecular Weight:142.22090000
Formula:C7 H10 O S
NMR Predictor:Predict (works with chrome, Edge or firefox)
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
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
DG SANTE Food Flavourings:13.114 2,5-dimethyl-3-(methylthiol)furan
 
Physical Properties:
Appearance:pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.04200 to 1.04800 @ 25.00 °C.
Pounds per Gallon - (est).: 8.670 to 8.720
Refractive Index:1.50300 to 1.50900 @ 20.00 °C.
Boiling Point: 169.00 to 170.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.863000 mmHg @ 25.00 °C. (est)
Flash Point: 135.00 °F. TCC ( 57.22 °C. )
logP (o/w): 2.582 (est)
Soluble in:
 alcohol
 water, 200.4 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
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 2,5-dimethyl-3-(methyl thiol) furan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0024 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (μg/person/day)
Adequate NOAEL exists: Yes
Threshold of Concern:90 (μg/person/day)
Structure Class: III
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
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 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 :143990
National Institute of Allergy and Infectious Diseases:Data
2,5-dimethyl-3-methylsulfanylfuran
Chemidplus:0063359637
 
References:
 2,5-dimethyl-3-methylsulfanylfuran
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):143990
Pubchem (sid):135101272
 
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
HMDB (The Human Metabolome Database):HMDB40198
FooDB:FDB019910
VCF-Online:VCF Volatile Compounds in Food
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
methyl furfuryl disulfide
FL/FR
caramellic
coffee dione
FL/FR
cyclotene
FL/FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
cocoa
2-
methyl butyraldehyde
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
1-
hydroxy-2-butanone
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
medicinal
2,6-
xylenol
FL/FR
musty
menthofuran
FL/FR
nutty
3,5-
cocoa pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
filbert heptenone
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
sulfurous
benzothiazole
FL/FR
furfuryl thioacetate
FL/FR
S-
furfuryl thioformate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
For Flavor
No flavor group found for these
2,5-
dimethyl-3-thiofuroyl furan
FL
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
alliaceous
alliaceous
benzyl mercaptan
FL
dicyclohexyl disulfide
FL
brown
1-
hydroxy-2-butanone
FL/FR
burnt
furfuryl alcohol
FL
2-
methyl quinoxaline
FL
2,6-
xylenol
FL/FR
caramellic
caramel furanone
FL
cyclotene
FL/FR
coffee
coffee difuran
FL/FR
coffee dione
FL/FR
coffee pyrazine
FL
difurfuryl ether
FL
diisoamyl thiomalate
FL
2,4-
dimethyl thiazole
FL
furfuryl mercaptan
FL/FR
methyl furfuryl disulfide
FL/FR
2-
thiophene thiol
FL
earthy
difurfuryl sulfide
FL
fruity
furfuryl propionate
FL
fusel
2-
methyl butyraldehyde
FL/FR
green
2-
methyl-5-isopropyl pyrazine
FL
meaty
benzothiazole
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2-
methyl 3-(methyl thio) furan
FL
mustard
furfuryl methyl ether
FL
musty
menthofuran
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
nutty
3,5-
cocoa pyrazine
FL/FR
3,5(6)-
cocoa pyrazine
FL
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
filbert heptenone
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
onion
furfuryl isopropyl sulfide
FL
roasted
2-
acetyl pyrazine
FL/FR
ethyl 3-(furfuryl thio) propionate
FL
furfuryl thioacetate
FL/FR
sulfurous
butyl mercaptan
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
S-
furfuryl thioformate
FL/FR
furfuryl thiopropionate
FL
2-
thienyl mercaptan
FL
vegetable
1-
furfuryl pyrrole
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 
Synonyms:
2,5-dimethyl-3-(methylsulfanyl)furan
2,5-dimethyl-3-(methylthio)furan
2,5-dimethyl-3-(methylthiol)furan
2,5-dimethyl-3-methyl sulfanyl furan
2,5-dimethyl-3-methylsulfanylfuran
 furan, 2,5-dimethyl-3-(methylthio)-
 furan, 2,5-dimethyl-3-(methylthiol)-
 
 
Notes:
Occurs in coffee aroma
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