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methyl 2-thiofuroate

Chemical Structure

General Material Information

Preferred name methyl 2-thiofuroate
Trivial Name Methyl 2-thiofuroate
Short Description S-methyl 2-thiofuroate
Formula C6 H6 O2 S
CAS Number 13679-61-3
FEMA Number 3311
Flavis Number 13.142
ECHA Number 237-177-0
FDA UNII 9H9BCF87R7
Nikkaji Number J101.273H
MDL MFCD00040266
COE Number 11547
NMR Predictor External link
JECFA Food Flavoring 1083 S-methyl thiofuroate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13679-61-3 ; METHYL 2-THIOFUROATE
Synonyms
  • dairy furoate
  • 2-furancarbothioic acid, S-methyl ester
  • 2-furoic acid, thio-, S-methyl ester
  • methane thiol furoate
  • methanethiolfuroate
  • S- methyl 2-furan thiocarboxylate
  • S- methyl 2-furancarbothioate
  • S- methyl 2-furanthiocarboxylate
  • ( methyl 2-thio) furoate
  • S- methyl 2-thiofuroate
  • S- methyl furan-2-carbothioate
  • methyl thio-2-furoate
  • S- methyl thio-2-furoate
  • ( methyl thio) furoate
  • ( methyl thio)-2-furoate
  • methyl thiofuroate
  • S- methyl thiofuroate
  • methyl-2-thiofuroate
  • S- methylfuran-2-carbothioate
  • methylthio-2-furoate
  • ( methylthio)furoate
  • methylthiofuroate
  • methylthiol fuorate
  • methylthiol furoate
  • thiofuroic acid methyl ester
  • S-methyl furan-2-carbothioate
  • 2-Furancarbothioic acid, S-methyl ester
  • 2-Furoic acid, thio-, S-methyl ester
  • S-Methyl 2-furancarbothioate
  • (Furan-2-yl)(methylsulfanyl)methanone

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

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Literature & References

S-methyl furan-2-carbothioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13679-61-3
Pubchem (cid):61662
Pubchem (sid):135017474
Publications by US Patents
3,952,024 - Furfurylthioacetone
Flavoring agent

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):HMDB37762
FooDB:FDB016903
Export Tariff Code:2932.19.1000
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 142.17721557617
Specific gravity @ 25 °C
Pounds per Gallon 10.235 to 10.326
Refractive Index 1.567 to 1.573 @ 20 °C
Boiling Point 92 to 93°C @ 11 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.669 mmHg @ 25 °C
Flash Point TCC Value 93.89 °C TCC
logP (o/w) 2.458 est
Solubility
alcohol Yes
water, 6210 mg/L @ 25 °C (est) Yes
water No
Stability
stable in most media Unspecified

Organoleptic Properties

Odor Type: Alliaceous
milky, creamy, fried, onion cooked onion
General comment At 0.10 % in dipropylene glycol. milky creamy fried cooked onion
Flavor Type: Cabbage
cabbage
General comment Cabbage

Occurrences

Potential Uses

Applications
Flavoring purposes Cheese, Chocolate cocoa, Coffee, Milk, Onion, Strawberry

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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 methyl 2-thiofuroate usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (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: 5
Click here to view publication 5
average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -3.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -3.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.00000
fruit ices: -3.00000
gelatins / puddings: --
granulated sugar: --
gravies: -3.00000
hard candy: -3.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -3.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -3.00000
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 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13679-61-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61662
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
S-methyl furan-2-carbothioate
Chemidplus:0013679613