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2-methyl 3-(methyl thio) furan

Chemical Structure

General Material Information

Preferred name 2-methyl 3-(methyl thio) furan
Trivial Name 2-Methyl-3-(methylthio)furan
Short Description 2-methyl-3-(methylthio)furan
Formula C6 H8 O S
CAS Number 63012-97-5
FEMA Number 3949
Flavis Number 13.152
FDA UNII M46N02LDL4
Nikkaji Number J641.813I
MDL MFCD03701635
xLogP3-AA 1.90 (est)
NMR Predictor External link
JECFA Food Flavoring 1061 2-methyl-3-(methylthio)furan
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 63012-97-5 ; 2-METHYL-3-(METHYLTHIO)FURAN
Synonyms
  • dimethyl thiofurane
  • furan, 2-methyl-3-(methylthio)-
  • 2-methyl-3-(methylsulfanyl)furan
  • 2-methyl-3-(methylthio)-furan
  • 2-methyl-3-(methylthio)furan
  • 2-methyl-3-methyl thiofuran
  • 2-methyl-3-methylsulfanylfuran
  • 2-methyl-3-methylthio furan
  • 2-methyl-3-methylthiofuran
  • 2-methyl-3-thiomethylfuran
  • methylmethylthiofuran
  • 2-methyl-3-methylsulfanylfuran
  • 2-Methyl-3-(methylthio)furan
  • 2-Methyl-3-methylthiofuran
  • 2-Methyl-3-(methylsulfanyl)furan

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB36610
FooDB:FDB015526
YMDB (Yeast Metabolome Database):YMDB01452
Export Tariff Code:2930.90.9999
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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 128.19395446777
Specific gravity @ 20 °C
Pounds per Gallon 8.864 to 8.922
Refractive Index 1.506 to 1.514 @ 20 °C
Vapor Pressure 2.606 mmHg @ 25 °C
Flash Point TCC Value 37.78 °C TCC
logP (o/w) 2.324 est
Solubility
alcohol Yes
water, 670.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
beefy, cheesy, coffee, minty, spicy, pungent, alliaceous, sulfurous, dry, meaty, brothy, mustard
General comment At 10.00 % in triacetin. beefy cheese coffee minty spicy
Mosciano, Gerard P&F 26, No. 5, 68, (2001) At 1.00 % in propylene glycol. Spicy, pungent alliaceous, sulfurous drying to a meaty brothy aroma with mustard and coffee nuances
Flavor Type: Meaty
meaty, spicy, solvent, coffee, nutty, cheesy
Mosciano, Gerard P&F 26, No. 5, 68, (2001) At 0.10 - 0.40 ppm. Mild meaty, spicy, slightly solvent like with coffee, nutty and cheesy nuances

Occurrences

Potential Uses

Applications
Flavoring purposes Chocolate cocoa, Coffee, Meat, Nut, Wasabi

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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-methyl 3-(methyl thio) furan usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
NOEL (No Observed Effect Level): 1.30 (mg/kg bw per day)
Structure Class: II
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: 19
Click here to view publication 19
average usual ppmaverage maximum ppm
baked goods: 0.020000.20000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.005000.05000
chewing gum: --
condiments / relishes: 0.001000.01000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: 0.030000.30000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.030000.30000
hard candy: --
imitation dairy: 0.005000.05000
instant coffee / tea: --
jams / jellies: --
meat products: 0.050000.50000
milk products: 0.005000.05000
nut products: --
other grains: --
poultry: 0.050000.50000
processed fruits: --
processed vegetables: 0.003000.03000
reconstituted vegetables: 0.003000.03000
seasonings / flavors: 0.050000.50000
snack foods: 0.030000.30000
soft candy: --
soups: 0.030000.30000
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 :526618
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2-methyl-3-methylsulfanylfuran
Chemidplus:0063012975