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S-(2-methyl-3-furyl) ethane thioate

Chemical Structure

General Material Information

Preferred name S-(2-methyl-3-furyl) ethane thioate
Trivial Name 3-(Acetylthio)-2-methylfuran
Short Description ethanethioic acid, S-(2-methyl-3-furanyl) ester
Formula C7 H8 O2 S
CAS Number 55764-25-5
FEMA Number 3973
Flavis Number 13.153
ECHA Number 259-801-0
FDA UNII 7277JEE7AF
Nikkaji Number J296.492I
MDL MFCD01632595
xLogP3-AA 1.70 (est)
NMR Predictor External link
JECFA Food Flavoring 1069 ethanethioic acid, S-(2-methyl-3-furanyl) ester
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 55764-25-5 ; 3-(ACETYLTHIO)-2-METHYLFURAN
Synonyms
  • 3-( acetyl thio)-2-methyl furan
  • 3-acetylthio-2-methylfuran
  • 3-( acetylthio)-2-methylfuran
  • ethane thioic acid S-(2-methyl-3-furanyl) ester
  • ethanethioic acid, S-(2-methyl-3-furanyl) ester
  • ethanethioic acid, S-(2-methyl-3-furanyl)ester
  • meaty thioacetate
  • 2-methyl-3-furan thiol acetate
  • 2-methyl-3-furanthiol acetate
  • S-(2-methyl-3-furanyl) ester ethane thioic acid
  • S-(2-methyl-3-furanyl) ester ethanethioic acid
  • 2-methyl-3-furyl thioacetate
  • S-(2-methyl-3-furyl) ethanethioate
  • S-(2-methyl-3-furyl) thioacetate
  • S-(2-methyl-3-furyl)ethanethioate
  • 2-methyl-3-thioacetoxyfuran
  • S-(2-methylfuran-3-yl)ethanethioate
  • thioacetyl sylvane
  • thioacetylsylvane (Firmenich)
  • S-(2-methylfuran-3-yl) ethanethioate
  • 3-(Acetylthio)-2-methylfuran
  • 1-[(2-Methylfuran-3-yl)sulfanyl]ethan-1-one

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):HMDB32160
FooDB:FDB008894
Export Tariff Code:2932.19.5000
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 156.20416259766
Specific gravity @ 25 °C
Pounds per Gallon 9.486 to 9.644
Refractive Index 1.444 to 1.451 @ 20 °C
Boiling Point 222 to 224°C @ 760 mm Hg
Vapor Pressure 0.211 mmHg @ 25 °C
Flash Point TCC Value 60 °C TCC
logP (o/w) 1.697 est
Solubility
alcohol Yes
water, 1122 mg/L @ 25 °C (est) Yes
water No
triacetin No

Organoleptic Properties

Odor Type: Meaty
meaty roasted meaty, roasted, meaty, sulfurous, eggy, burnt, cooked, fried
General comment At 0.10 % in propylene glycol. roasted meat sulfurous eggy burnt cooked fried
Flavor Type: Meaty
meaty, beefy, chicken, bacon
General comment Meaty beefy chicken bacon
THIOACETYLSYLVA NE is key for bacon and beef tonalities. In lower dosages, it has great nutty and tropical fruit nuances which work nicely in nut and mango flavors. Very powerful beef, chicken and bacon notes

Occurrences

Potential Uses

Applications
Flavoring purposes Beef, Chicken, Coffee, Meat

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 37/39 - Wear suitable 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 S-(2-methyl-3-furyl) ethane thioate 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): 0.07 (μg/capita/day)
NOEL (No Observed Effect Level): 5.00 (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: 20. Update in publication number(s): 21
Click here to view publication 20
average usual ppmaverage maximum ppm
baked goods: 5.0000010.00000
beverages(nonalcoholic): 0.100001.00000
beverages(alcoholic): --
breakfast cereal: 0.100000.50000
cheese: 0.010000.10000
chewing gum: --
condiments / relishes: 0.001000.01000
confectionery froastings: --
egg products: --
fats / oils: 0.500005.00000
fish products: 0.500005.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.500005.00000
hard candy: 0.500005.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.500005.00000
milk products: 0.100001.00000
nut products: 0.500005.00000
other grains: --
poultry: 0.050000.30000
processed fruits: --
processed vegetables: 0.100001.00000
reconstituted vegetables: 0.003000.03000
seasonings / flavors: 1.000005.00000
snack foods: 1.000005.00000
soft candy: --
soups: 0.100001.00000
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):55764-25-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :108765
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
S-(2-methylfuran-3-yl) ethanethioate
Chemidplus:0055764255