EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

S-(2,5-dimethyl-3-furyl) ethane thioate
2,5-dimethyl-3-furanthiol acetate

Supplier Sponsors

Name:S-(2,5-dimethylfuran-3-yl) ethanethioate
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
FLAVIS Number:13.116 (Old)
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: 2,5-DIMETHYL-3-FURANTHIOL ACETATE
 
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 mm/Hg @ 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
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
S-(2,5-Dimethyl-3-furyl) thioacetate
Parchem
S-(2,5-dimethyl-3-furyl) ethane thioate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
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)
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
 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: --
 
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

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
 
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
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (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
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
balsamic
balsamic
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
citrus
2-
heptanol
FL/FR
ethereal
iso
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
butyl undecylenate
FL/FR
4-
ethyl octanoic acid
FL/FR
fermented
methyl decanoate
FL/FR
floral
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
para-
anisyl butyrate
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
black
currant bud concrete
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
ethyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
alpha-
ionone
FL/FR
ionone mixed isomers
FL/FR
iso
jasmone
FL/FR
linalyl butyrate
FL/FR
magnolia flower oil CO2 extract
FL/FR
methoxymelonal
FL/FR
para-
methyl benzyl acetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
osmanthus concrete
FL/FR
petitgrain lemon oil
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl benzoate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose butanoate
FL/FR
star fruit oil cuba
FL/FR
styralyl isobutyrate
FL/FR
styralyl propionate
FL/FR
terpinyl valerate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
apricot essence
FL/FR
benzyl propionate
FL/FR
benzyl valerate
FL/FR
butyl 2-naphthyl ether
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
neo
caspirene
FL/FR
citronellyl isobutyrate
FL/FR
beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
(R)-gamma-
dodecalactone
FL/FR
ethyl levulinate
FL/FR
heptyl butyrate
FL/FR
heptyl isobutyrate
FL/FR
linalool oxide acetates
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
sambucus canadensis fruit absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
(R)-
styralyl acetate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical ionone
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexyl hexanoate
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
tagete oil madagascar
FL/FR
viridiflorol
FL/FR
medicinal
ortho-
cresyl acetate
FL/FR
powdery
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
para-
anisyl formate
FL/FR
spicy acetoacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
lychee mercaptan acetate
FL/FR
passiflora acetate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
4-
tropical oxathiane
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
3-
nonen-4-olide
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
tropical 3-thiobutyrate
FL/FR
waxy
dihydrocitronellyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
phytyl acetate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
iso
amyl angelate
FL/FR
amyl angelate
FL
benzyl valerate
FL/FR
butyl 2-naphthyl ether
FL/FR
2-
butyl thiophene
FL
neo
caspirene
FL/FR
ortho-
cresyl acetate
FL/FR
2,4-
difurfuryl furan
FL
dihydrocitronellyl acetate
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
(R)-gamma-
dodecalactone
FL/FR
ethyl 2-(methyl thio) acetate
FL
ethyl 3-hydroxyoctanoate
FL
ethyl ethyl anthranilate
FL/FR
4-
hydroxyphenethyl alcohol
FL
ionone mixed isomers
FL/FR
linalool oxide acetates
FL/FR
magnolia flower oil CO2 extract
FL/FR
methyl 2-(methyl thio) acetate
FL
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(E)-
methyl geranate
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
3-
nonen-4-olide
FL/FR
alpha-
ocimene
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
phytyl acetate
FL/FR
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
iso
propyl benzoate
FL/FR
sorbyl propionate
FL
(R)-
styralyl acetate
FL/FR
styralyl isobutyrate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
viridiflorol
FL/FR
vitispirane
FL
allyl thiohexanoate
FL
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
anisic
anisic
para-
anisyl butyrate
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
berry
heptyl isobutyrate
FL/FR
burnt
ethyl 2-furoate
FL
caramellic
strawberry furanone acetate
FL/FR
cheesy
methyl ketones
FL
citrus
petitgrain lemon oil
FL/FR
petitgrain mandarin oil
FL/FR
styralyl propionate
FL/FR
creamy
triacetin
FL
ethereal
methyl isobutyrate
FL/FR
fatty
4-
ethyl octanoic acid
FL/FR
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
(S)-
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
alpha-
ionone
FL/FR
linalyl butyrate
FL/FR
2-
methyl butyl 3-methyl butenoate
FL
(E)-alpha-
methyl ionone (74-80%)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
tropical ionone
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
apricot essence
FL/FR
benzyl acetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
black
currant bud concrete
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
ethyl anthranilate
FL/FR
ethyl levulinate
FL/FR
2-
heptanol
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl hexanoate
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
3-
mercaptohexyl hexanoate
FL
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl 4-phenyl butyrate
FL
para-
methyl benzyl acetate
FL/FR
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
osmanthus concrete
FL/FR
passion fruit distillates
FL
phenethyl isovalerate
FL/FR
2-
phenyl-4-pentenal
FL
iso
propyl formate
FL/FR
rose butanoate
FL/FR
sambucus canadensis fruit absolute
FL/FR
star fruit oil cuba
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
tagete oil madagascar
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
4-
tropical oxathiane
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
cis-
galbanum oxathiane
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
iso
jasmone
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu oil fractions
FL
honey
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
spicy
para-
anisyl formate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
spicy acetoacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
anacardium occidentale fruit puree
FL
3-
mercaptohexyl acetate
FL/FR
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
butyl undecylenate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
woody
methyl ionyl acetate
FL/FR
 
Potential Uses:
FRfloral
 fruit
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 
 
Notes:
Used as a food additive [EAFUS]
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