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    General Material Information
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2-methyl 5-(methyl thio) furan

Chemical Structure

General Material Information

Preferred name 2-methyl 5-(methyl thio) furan
Trivial Name 2-Methyl-5-(methylthio)furan
Short Description 2-methyl-5-(methylthio)furan
Formula C6 H8 O S
CAS Number 13678-59-6
FEMA Number 3366
Flavis Number 13.065
ECHA Number 237-170-2
FDA UNII 41Z7B950JJ
Nikkaji Number J100.367D
MDL MFCD01208018
COE Number 11550
NMR Predictor External link
JECFA Food Flavoring 1062 2-methyl-5-(methylthio)furan
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13678-59-6 ; 2-METHYL-5-(METHYLTHIO)FURAN
Synonyms
  • furan, 2-methyl-5-(methylthio)-
  • 2-methyl 5-(methylthio)furan
  • methyl 5-methylfuryl sulfide
  • 5-methyl furyl methyl sulfide
  • 5-methyl-2-(methylthio)furan
  • 2-methyl-5-(methyl thio) furan
  • 2-methyl-5-(methylmercapto)furan
  • 2-methyl-5-(methylsulfanyl)furan
  • 2-methyl-5-(methylthio) furan
  • 2-methyl-5-(methylthio)furan
  • 2-methyl-5-methyl sulfanyl furan
  • 2-methyl-5-methyl thiofuran
  • 2-methyl-5-methylsulfanylfuran
  • 2-methyl-5-methylthiofuran
  • 2-methyl-5-thiomethyl furan
  • 2-methyl-5-thiomethylfuran
  • 5-methylfuryl methyl sulfide
  • 5-( methylthio)propyl acetate
  • 2-methyl-5-methylsulfanylfuran
  • 2-Methyl-5-(methylthio)furan
  • 5-Methyl-2-(methylthio)furan

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

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Literature & References

2-methyl-5-methylsulfanylfuran
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13678-59-6
Pubchem (cid):61657
Pubchem (sid):135017469
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines
Flavoring agents
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):HMDB41566
FooDB:FDB021556
Export Tariff Code:2932.19.0050
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 8.789 to 8.822
Refractive Index 1.514 to 1.52 @ 20 °C
Boiling Point 66 to 67°C @ 23 mm Hg
Vapor Pressure 2.849 mmHg @ 25 °C
Flash Point TCC Value 51.67 °C TCC
logP (o/w) 2.259 est
Solubility
alcohol Yes
water, 670.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, onion, garlic, coffee, mustard, horseradish, pungent, peppery
General comment At 0.10 % in dipropylene glycol. sulfury onion garlic coffee mustard horseradish
Mosciano, Gerard P&F 20, No. 1, 31, (1995) Sulfureous, onion, garlic, coffee and mustard-like with pungent horseradish and peppery nuances
Flavor Type: Musty
musty, mustard, onion, garlic, mushroom, coffee, savory
Mosciano, Gerard P&F 20, No. 1, 31, (1995) At 50.00 ppm. Musty, mustard, onion, garlic, mushroom, coffee and savory nuances
Used in bakery and sauces at 1.5ppm. Sulphurous

Occurrences

Potential Uses

Applications
Flavoring purposes Coffee, Garlic, Mushroom, Mustard, Onion

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.02 (μg/capita/day)
NOEL (No Observed Effect Level): 1.30 (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: 6
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -1.50000
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: -1.50000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.50000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.50000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13678-59-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61657
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2-methyl-5-methylsulfanylfuran
Chemidplus:0013678596