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furfuryl thiopropionate
S-furfuryl thiopropionate

Sponsors

Name:S-(furan-2-ylmethyl) propanethioate
CAS Number: 59020-85-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:261-562-2
FDA UNII:U05MDN4A54
Nikkaji Web:J308.592I
MDL:MFCD00040264
CoE Number:11484
XlogP3-AA:1.70 (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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1075 S-furfuryl thiopropionate
FLAVIS Number:13.063 (Old)
DG SANTE Food Flavourings:13.063 S-furfuryl propanethioate
FEMA Number:3347 S-furfuryl thiopropionate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: FURFURYL THIOPROPIONATE
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.08900 to 1.11100 @ 20.00 °C.
Pounds per Gallon - (est).: 9.072 to 9.255
Refractive Index:1.50600 to 1.52100 @ 20.00 °C.
Boiling Point: 95.00 to 97.00 °C. @ 10.00 mm Hg
Boiling Point: 220.00 to 222.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.052000 mm/Hg @ 25.00 °C. (est)
Vapor Density:5.8 ( Air = 1 )
Flash Point: 208.00 °F. TCC ( 97.78 °C. )
logP (o/w): 2.013 (est)
Soluble in:
 alcohol
 water, 1808 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl propionate
allyl thiopropionate
amyl propionate
isoamyl propionate
para-anisyl propionate
benzyl propionate
bornyl propionate
isobornyl propionate
butyl propionate
isobutyl propionate
tert-butyl propionate
carvyl propionate
cinnamyl propionate
citronellyl propionate
para-cresyl propionate
cyclohexyl propionate
cyclotene propionate
decyl propionate
dewy propionate
dicyclopentadiene propionate
dimethyl benzyl carbinyl propionate
dodecyl propionate
ethyl propionate
eugenyl propionate
furfuryl propionate
geranyl propionate
guaiacyl propionate
heptyl propionate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
hexyl propionate
linalyl propionate
maltyl propionate
menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
methyl propionate
nerolidyl propionate
neryl propionate
nonisyl propionate
nonyl propionate
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
octyl propionate
phenethyl propionate
phenoxyethyl propionate
3-phenyl propyl propionate
propyl propionate
isopropyl propionate
rhodinyl propionate
sorbyl propionate
styralyl propionate
sulfuryl propionate
terpinyl propionate
tetrahydrofurfuryl propionate
tricyclodecenyl propionate
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous coffee onion garlic savory
Odor Description:at 0.10 % in propylene glycol. sulfurous coffee onion garlic savory
sulfurous coffee onion garlic savory
Odor Description:Sulfureous, coffee-like, onion and garlic, with a sauteed savory nuance
Mosciano, Gerard P&F 19, No. 4, 45, (1994)
Flavor Type: sulfurous
sulfurous coffee onion garlic meaty savory roasted
Taste Description: at 1.00 ppm. Sulfureous, coffee, onion and garlic-like with meaty savory roast nuances
Mosciano, Gerard P&F 19, No. 4, 45, (1994)
Odor and/or flavor descriptions from others (if found).
Treatt
Furfuryl Thiopropionate Halal, Kosher
Odor Description:coffee, onion/garlic
Taste Description:Sulfureous, coffee, onion and garlic-like with meaty savory roast nuances
Used in meat and coffee flavours, for bakery, frozen/soft confection, soft drinks at 1ppm.
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
FURFURYL THIOPROPIONATE NATURAL
98% min.
Odor: Coffee
Advanced Biotech
FURFURYL THIOPROPIONATE
Beijing Lys Chemicals
Furfuryl thiopropionate
BOC Sciences
For experimental / research use only.
Furfuryl Thiopropionate
Charkit Chemical
FURFURYL THIOPROPIONATE F0750 FEMA 3347
DeLong Chemicals America
Furfuryl thiopropionate, Kosher
Endeavour Specialty Chemicals
Furfuryl thiopropionate 99% F&F
Speciality Chemical Product Groups
Jinan Enlighten Chemical Technology(Wutong Aroma )
S-Furfuryl Thiopropionate Kosherk
M&U International
FURFURYL THIOPROPIONATE, Kosher
Penta International
FURFURYL THIOPROPIONATE, Kosher
Robinson Brothers
Furfuryl thiopropionate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Furfuryl Thiopropionate
Sigma-Aldrich
Furfuryl thiopropionate, ≥98%
Odor: coffee; alliaceous (onion, garlic)
Certified Food Grade Products
Sunaux International
Furfuryl Thiopropionate
Synerzine
Furfuryl Thiopropionate
Taytonn
Furfuryl Thiopropionate
Odor: Burnt, Coffee, Roast
TCI AMERICA
For experimental / research use only.
Furfuryl Thiopropionate >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Furfuryl Thiopropionate
Treatt
Furfuryl Thiopropionate
Halal, Kosher
Odor: coffee, onion/garlic
Flavor: Sulfureous, coffee, onion and garlic-like with meaty savory roast nuances
Used in meat and coffee flavours, for bakery, frozen/soft confection, soft drinks at 1ppm.
 
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 - Wear suitable protective clothing.
 
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 furfuryl thiopropionate 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): 0.005 (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: 6
 average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -1.00000
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: --
granulated sugar: --
gravies: --
hard candy: -1.00000
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

EPI System: View
EPA Substance Registry Services (TSCA):59020-85-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62143
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
S-(furan-2-ylmethyl) propanethioate
Chemidplus:0059020858
 
References:
 S-(furan-2-ylmethyl) propanethioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:59020-85-8
Pubchem (cid):62143
Pubchem (sid):135019980
 
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):HMDB37732
FooDB:FDB016862
Export Tariff Code:2932.19.1000
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
alliaceous
dibutyl sulfide
FL/FR
dimethyl trisulfide
FL/FR
methyl furfuryl disulfide
FL/FR
balsamic
2-
acetyl furan
FL/FR
caramellic
coffee dione
FL/FR
cyclotene
FL/FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
1-
hydroxy-2-butanone
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
fruity
tropical thiazole
FL/FR
medicinal
2,6-
xylenol
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
musty
menthofuran
FL/FR
nutty
3,5-
cocoa pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
filbert heptenone
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
benzothiazole
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
ferula assa-foetida absolute
FL/FR
furfuryl thioacetate
FL/FR
S-
furfuryl thioformate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
2-(
methyl thio) phenol
FL/FR
4-
tropical oxathiane
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
allyl propyl trisulfide
FL
benzyl methyl sulfide
FL
2-
butenoic acid
FL
2-iso
butyl-4,5-dimethyl oxazole
FL
diethyl trisulfide
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
dipropyl sulfide
FL
methyl butyl sulfide
FL
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
truffle sulfide
FL
brown
1-
hydroxy-2-butanone
FL/FR
burnt
furfuryl alcohol
FL
1-(2-
furfuryl thio) propanone
FL
2-
methyl quinoxaline
FL
2,6-
xylenol
FL/FR
caramellic
caramel furanone
FL
cyclotene
FL/FR
coffee
coffee difuran
FL/FR
coffee dione
FL/FR
coffee pyrazine
FL
difurfuryl ether
FL
diisoamyl thiomalate
FL
2,4-
dimethyl thiazole
FL
furfuryl mercaptan
FL/FR
methyl furfuryl disulfide
FL/FR
2-
thiophene thiol
FL
earthy
difurfuryl sulfide
FL
fatty
4,5-
dimethyl-2-propyl oxazole
FL
fruity
furfuryl propionate
FL
4-
tropical oxathiane
FL/FR
fusel
2-
methyl butyraldehyde
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
green
dibutyl sulfide
FL/FR
2,5-
dimethyl-4-ethyl oxazole
FL
2-
methyl-5-isopropyl pyrazine
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
benzothiazole
FL/FR
(R,S)-2-
mercapto-3-butanol
FL
2-
methyl 3-(methyl thio) furan
FL
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
moldy
strawberry furanone methyl ether
FL/FR
mustard
furfuryl methyl ether
FL
musty
ethyl (E)-2-crotonate
FL/FR
menthofuran
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl-2,5-dimethyl thiophene
FL
3,5-
cocoa pyrazine
FL/FR
3,5(6)-
cocoa pyrazine
FL
2,6-
dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
filbert heptenone
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
nutty thiazole
FL
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
2-
acetyl pyrazine
FL/FR
ethyl 3-(furfuryl thio) propionate
FL
furfuryl thioacetate
FL/FR
hexyl mercaptan
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
ethyl methyl mercaptopropionate
FL/FR
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
S-
furfuryl thioformate
FL/FR
3-
mercapto-2-methyl pentanal
FL
methyl 4-(methyl thio) butyrate
FL
3-
methyl-2-butane thiol
FL
2-
thienyl mercaptan
FL
vegetable
1-
furfuryl pyrrole
FL/FR
 
Potential Uses:
FLchocolate
FLcoffee
 fruit tropical fruit
FLgarlic
FLmeat
FLnut
FLonion
FLroasted
FLsavory
FLtropical
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 coffee thioate
S-(furan-2-ylmethyl) propanethioate
S-(furan-2-ylmethyl)propanethioate
S-(2-furanylmethyl) propanethioate
S-furfuryl propane thioate
S-furfuryl propanethioate
 furfuryl thiol propionate
S-furfuryl thiopropionate
 furfuryl thiopropionate natural
 furfurylthiol propionate
S-(2-furylmethyl) propanethioate
1-(2-furylmethylthio)propan-1-one
 propanethioic acid, S-(2-furanylmethyl) ester
 
 
Notes:
Flavouring ingredient
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