S-(2,5-dimethyl-3-furyl) ethane thioate
2,5-dimethyl-3-furanthiol acetate
 
Notes:
Used as a food additive [EAFUS]
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      55764-22-2 S-(2,5-Dimethyl-3-furyl) thioacetate
       
  • CSA
  • United International
    • Qingdao Free Trade Zone United International Co Ltd
      Quality Products
      A partner in your supply chain solution.
      Qingdao Free Trade Zone United International Trade Co., Ltd.was founded in 1996, specializing in the production and import and export of food additives,flavor raw materials and pharmaceutical and chemical raw materials. The company has experienced R&D and business personnel,product quality, low price, efficient service and fast insight and grasp the latest market information.
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      Product(s):
      3024 3-Acetylthio-2,5-Dimethyl Furan
       
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    Flavor Demo Formulas
CAS Number: 55764-22-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 259-799-1
FDA UNII: 6FAQ96BE1Q
Nikkaji Web: J296.491K
MDL: MFCD13194848
XlogP3-AA: 2.10 (est)
Molecular Weight: 170.23110000
Formula: C8 H10 O2 S
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
JECFA Food Flavoring: 1523  2,5-dimethyl-3-furanthiol acetate
DG SANTE Food Flavourings: 13.116  2,5-dimethyl-3-thioacetoxyfuran
FEMA Number: 4034 2,5-dimethyl-3-furanthiol acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):55764-22-2 ; 2,5-DIMETHYL-3-FURANTHIOL ACETATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.13700 to 1.14300 @  25.00 °C.
Pounds per Gallon - (est).: 9.461 to  9.511
Refractive Index: 1.52700 to 1.53300 @  20.00 °C.
Boiling Point: 230.00 °C. @ 760.00 mm Hg
Acid Value: 5.00 max. KOH/g
Vapor Pressure: 0.072000 mmHg @ 25.00 °C. (est)
Flash Point: 197.00 °F. TCC ( 91.67 °C. )
logP (o/w): 1.715 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 329.4 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 fruity  floral  tropical  
Odor Description:
at 0.10 % in dipropylene glycol. 
fruity floral tropical
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
S-(2,5-Dimethyl-3-furyl) thioacetate
Parchem
S-(2,5-dimethyl-3-furyl) ethane thioate
United International
3-Acetylthio-2,5-Dimethyl Furan
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
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
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Safety in Use Information:
Category: flavoring agents
Recommendation for S-(2,5-dimethyl-3-furyl) ethane thioate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3.30 (μg/person/day)
Threshold of Concern:90 (μg/person/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: 21
Click here to view publication 21
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.010000.03000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.020000.04000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.020000.05000
milk products: --
nut products: --
other grains: --
poultry: 0.020000.05000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.010000.02000
soft candy: --
soups: 0.005000.01000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): --
Meat and meat products, including poultry and game (08.0): 0.02000-
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.02000-
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 0.10000-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
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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):
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 67 Revision 2 (FGE.67Rev2): Consideration of 28 furan-substituted compounds evaluated by JECFA at the 55th, 65th and 69th meetings (JECFA, 2001, 2006a, 2009b)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 67, Revision 3 (FGE.67Rev3): consideration of 23 furan-substituted compounds evaluated by JECFA at the 55th, 65th, 69th and 86th meetings
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 55764-22-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 108764
National Institute of Allergy and Infectious Diseases: Data
 S-(2,5-dimethylfuran-3-yl) ethanethioate
Chemidplus: 0055764222
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References:
 S-(2,5-dimethylfuran-3-yl) ethanethioate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 55764-22-2
Pubchem (cid): 108764
Pubchem (sid): 135065285
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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): HMDB32234
FooDB: FDB009314
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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
isopropyl cinnamateFL/FR
caramellic
 strawberry furanone acetateFL/FR
citrus
2-heptanolFL/FR
ethereal
isopropyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
fermented
 methyl decanoateFL/FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
para-anisyl butyrateFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
black currant bud concreteFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
alpha-iononeFL/FR
 ionone mixed isomersFL/FR
isojasmoneFL/FR
 linalyl butyrateFL/FR
 magnolia flower oil CO2 extractFL/FR
 methoxymelonalFL/FR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 osmanthus concreteFL/FR
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rose butanoateFL/FR
 star fruit oil cubaFL/FR
 styralyl isobutyrateFL/FR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 apricot essenceFL/FR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
isobutyl isobutyrateFL/FR
 butyl isobutyrateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl levulinateFL/FR
 heptyl butyrateFL/FR
 heptyl isobutyrateFL/FR
 linalool oxide acetatesFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
 neocaspireneFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
(R)-styralyl acetateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexyl hexanoateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 barosma betulina leaf oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 tagete oil madagascarFL/FR
 viridiflorolFL/FR
medicinal
ortho-cresyl acetateFL/FR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
spicy
para-anisyl formateFL/FR
 spicy acetoacetateFL/FR
 buchu mercaptanFL/FR
 lychee mercaptan acetateFL/FR
 passiflora acetateFL/FR
S-tropical 2-thiobutyrateFL/FR
4-tropical oxathianeFL/FR
tropical
cis-galbanum oxathianeFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
3-nonen-4-olideFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 tropical 3-thiobutyrateFL/FR
waxy
 dihydrocitronellyl acetateFL/FR
(E)-methyl geranateFL/FR
 phytyl acetateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 amyl angelateFL
isoamyl angelateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
2-butyl thiopheneFL
ortho-cresyl acetateFL/FR
2,4-difurfuryl furanFL
 dihydrocitronellyl acetateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl 2-(methyl thio) acetateFL
 ethyl 3-hydroxyoctanoateFL
 ethyl ethyl anthranilateFL/FR
4-hydroxyphenethyl alcoholFL
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl 2-(methyl thio) acetateFL
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 neocaspireneFL/FR
2-nonanone propylene glycol acetalFL/FR
3-nonen-4-olideFL/FR
alpha-ocimeneFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phytyl acetateFL/FR
S-prenyl thioisobutyrateFL
S-prenyl thioisovalerateFL
isopropyl benzoateFL/FR
 sorbyl propionateFL
(R)-styralyl acetateFL/FR
 styralyl isobutyrateFL/FR
S-tropical 2-thiobutyrateFL/FR
 viridiflorolFL/FR
 vitispiraneFL
 allyl thiohexanoateFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
anisic
para-anisyl butyrateFL/FR
balsamic
isopropyl cinnamateFL/FR
berry
 heptyl isobutyrateFL/FR
burnt
 ethyl 2-furoateFL
caramellic
 strawberry furanone acetateFL/FR
cheesy
 methyl ketonesFL
citrus
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
creamy
 triacetinFL
ethereal
 methyl isobutyrateFL/FR
fatty
4-ethyl octanoic acidFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
alpha-iononeFL/FR
 linalyl butyrateFL/FR
2-methyl butyl 3-methyl butenoateFL
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 tropical iononeFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 apricot essenceFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
isobutyl anthranilateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
black currant bud concreteFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 ethyl anthranilateFL/FR
 ethyl levulinateFL/FR
2-heptanolFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hexyl hexanoateFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
3-mercaptohexyl hexanoateFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
para-methyl benzyl acetateFL/FR
alpha-methyl iononeFL/FR
3-nonanon-1-yl acetateFL/FR
 osmanthus concreteFL/FR
 passion fruit distillatesFL
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
isopropyl formateFL/FR
 rose butanoateFL/FR
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
4-tropical oxathianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
(E)-citronellyl tiglateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
cis-galbanum oxathianeFL/FR
 heptanal dimethyl acetalFL/FR
 heptyl butyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
isojasmoneFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 barosma betulina leaf oilFL/FR
 buchu oil fractionsFL
honey
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
juicy
 lychee mercaptan acetateFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 spicy acetoacetateFL/FR
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
 anacardium occidentale fruit pureeFL
3-mercaptohexyl acetateFL/FR
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
 butyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 floralFR
 fruitFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
3-acetyl thio-2,5-dimethyl furan
3-(acetyl thio)-2,5-dimethyl furan
3-(acetylthio)-2,5-dimethylfuran
S-(2,5-dimethyl fur-3-yl) thioacetate
2,5-dimethyl-3-furan thiol acetate
2,5-dimethyl-3-furanthiol acetate
S-(2,5-dimethyl-3-furanyl) ethanethioate
S-(2,5-dimethyl-3-furyl) ethanethioate
S-(2,5-dimethyl-3-furyl) thioacetate
2,5-dimethyl-3-thioacetoxyfuran
S-(2,5-dimethylfuran-3-yl) ethanethioate
 ethane thioic acid S-(2,5-dimethyl-3-furanyl) ester
 ethanethioic acid, S-(2,5-dimethyl-3-furanyl) ester
3-thioacetyl-2,5-dimethyl furan
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