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    General Material Information
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    PhysChem Properties
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furfuryl thioacetate

Chemical Structure

General Material Information

Preferred name furfuryl thioacetate
Trivial Name Furfurylthiol acetate
Short Description S-furfuryl thioacetate
Formula C7 H8 O2 S
CAS Number 13678-68-7
FEMA Number 3162
Flavis Number 13.033
ECHA Number 237-173-9
FDA UNII 04ZX16701F
Nikkaji Number J100.837D
MDL MFCD00010083
COE Number 2250
xLogP3-AA 1.30 (est)
NMR Predictor External link
JECFA Food Flavoring 1074 S-furfuryl thioacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13678-68-7 ; FURFURYL THIOACETATE
Synonyms
  • acetic acid, thio-, S-furfuryl ester
  • ethane thioic acid S-(2-furanyl methyl) ester
  • ethanethioic acid, S-(2-furanylmethyl) ester
  • S-( furan-2-ylmethyl) ethanethioate
  • S-(2-furanyl methyl) ester ethane thioic acid
  • S-(2-furanyl methyl) ethane thioate
  • S-(2-furanylmethyl) ethanethioate
  • S- furfuryl acetothioate
  • S- furfuryl ethane thioate
  • S- furfuryl ethanethioate
  • S- furfuryl thioacetate
  • furfuryl thioacetate natural
  • furfuryl thiol acetate
  • S-(2-furfuryl) ethane thioate
  • furfurylthio acetate
  • furfurylthiol acetate
  • S-(2-furylmethyl) ethanethioate
  • 1-(2-furylmethylthio)ethan-1-one
  • thioacetic acid S-furfuryl ester
  • S-(furan-2-ylmethyl) ethanethioate
  • 2-Furanmethanethiol, acetate
  • S-(2-Furanylmethyl)thioacetate

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB35088
FooDB:FDB013715
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 156.20416259766
Specific gravity @ 20 °C
Pounds per Gallon 9.572 to 9.622
Refractive Index 1.522 to 1.529 @ 20 °C
Boiling Point 90 to 92°C @ 12 mm Hg
Acid Value 5 max KOH/g
Vapor Pressure 0.203 mmHg @ 25 °C
Vapor Density 5.3
Flash Point TCC Value 92.78 °C TCC
logP (o/w) 1.503 est
Solubility
alcohol Yes
water, 5513 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, burnt, roasted, nutty, coffee, savory, alliaceous, vegetable
General comment At 0.10 % in propylene glycol. sulfury burnt roasted nutty coffee
Mosciano, Gerard P&F 20, No. 3, 63, (1995) SuIfureous, roasted, savory, alliaceous, vegetative and coffee-like
Flavor Type: Roasted
roasted, alliaceous, garlic, coffee, meaty, savory, sulfurous
Mosciano, Gerard P&F 20, No. 3, 63, (1995) At 1.00 ppm. Roasted, alliaceous, garlic, coffee, meaty, savory and sulfureous
Useful in: brown coffee, brown others, savory meat. Very roasty, fresh roasted coffee, mocca, roasted meat
Used in cheese and malt flavours for meat products, frozen dairy and soft confection at 1ppm, desserts at 0.5ppm, sugar confection at 0.3ppm, beverages at 0.1ppm. Cheesy

Occurrences

Potential Uses

Applications
Odor purposes Malt
Flavoring purposes Bacon, Beverage, Cheese, Coffee, Dairy, Fruit tropical fruit, Garlic, Meat, Mustard, Nut, Onion
Other purposes Confection

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
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
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): 0.43 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.05 (μg/capita/day)
NOEL (No Observed Effect Level): 0.83 (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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -0.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: -1.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
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

Safety and efficacy of furfuryl and furan derivatives belonging to chemical group 14 when used as flavourings for all animal species and categories
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13678-68-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61660
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
S-(furan-2-ylmethyl) ethanethioate
Chemidplus:0013678687