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3-tetrahydrothiophenone
4,5-dihydro-3(2H)-thiophenone

Supplier Sponsors

Flavor Demo Formulas
Name:thiolan-3-one
CAS Number: 1003-04-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:213-698-9
FDA UNII:0E9MKH53DV
Nikkaji Web:J150.108I
Beilstein Number:00105201
MDL:MFCD00005412
CoE Number:2337
XlogP3-AA:0.40 (est)
Molecular Weight:102.15602000
Formula:C4 H6 O S
BioActivity Summary:listing
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:498 4,5-dihydro-3(2H)-thiophenone
FLAVIS Number:15.012 (Old)
DG SANTE Food Flavourings:15.012 4,5-dihydrothiophen-3(2H)-one
FEMA Number:3266 4,5-dihydro-3(2H)-thiophenone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 4,5-DIHYDRO-3(2H)THIOPHENONE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.20200 to 1.20700 @ 25.00 °C.
Pounds per Gallon - (est).: 10.002 to 10.043
Refractive Index:1.52700 to 1.53100 @ 20.00 °C.
Boiling Point: 175.00 °C. @ 760.00 mm Hg
Boiling Point: 86.00 to 87.00 °C. @ 25.00 mm Hg
Vapor Pressure:1.161000 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 171.00 °F. TCC ( 77.22 °C. )
logP (o/w): 0.222 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store under nitrogen.
Storage:refrigerate in tightly sealed containers. store under nitrogen.
Soluble in:
 alcohol
 water, 1.924e+005 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
garlic meaty green vegetable clam buttery
Odor Description:at 0.10 % in dipropylene glycol. garlic meaty green vegetables clams buttery
alliaceous cooked meaty green vegetable
Odor Description:Alliaceous, cooked meaty with green vegetable nuances
Mosciano, Gerard P&F 15, No. 1, 19, (1990)
Flavor Type: alliaceous
alliaceous onion garlic coffee chive
Taste Description: alliaceous onion garlic coffee chive
onion garlic cooked meaty vegetable
Taste Description: at 15.00 ppm. Onion, garlic, cooked meaty with vegetable nuances
Mosciano, Gerard P&F 15, No. 1, 19, (1990)
Odor and/or flavor descriptions from others (if found).
Sigma-Aldrich
4,5-Dihydro-3(2H)-thiophenone, ≥98%, FG
Odor Description:butter; meaty; alliaceous (onion, garlic)
Taste Description:onion garlic cooked meat vegetable
R C Treatt & Co Ltd
Tetrahydrothiophen-3-one Halal, Kosher
Odor Description:roast meat, buttery, cooked garlic, clam notes
Taste Description:roasted
Used for roast & HVP flavors; at 0.5-5 ppm; used in coffee, chocolate, roast nut, toasted cereal, meat, spice, soup and savory flavours. Normal use levels in finished consumer product: 0.01-1 ppm.
Symrise
Tetrahydro thiophenone-3
Taste Description:creamy, sulphurous, garlic, fatty
Useful in: brown nuts, brown coffee, brown others, dairy, vanilla, savory vegetable, savory meat, fruity yellow.
 
Cosmetic Information:
None found
 
Suppliers:
Anhui Haibei
Tetrahydrothiophen-3-one
Odor: Grlic meaty green vegetables clams buttery
Anhui Suzhou Jinli Aromatic Chemicals
Tetrahydrothiophen-3-one
Odor: strong meat, Scallion, sulfide
Beijing Lys Chemicals
4,5-Dihydro-3(2H)thiophenone
BOC Sciences
For experimental / research use only.
4,5-Dihydro-3(2H)-thiophenone
DeLong Chemicals America
4,5-Dihydro-3(2H)thiophenone, Kosher
Endeavour Specialty Chemicals
Tetrahydrothiophen-3-one 98% F&F
Speciality Chemical Product Groups
FCI SAS
TETRAHYDROTHIOPHEN 3 ONE
Odor: Garlic, Meat
Frinton Laboratories
For experimental / research use only.
Tetrahydro-3-thiophenone
Jiangyin Healthway
Tetrahydrothiophene-3-one
New functional food ingredients
Jinan Enlighten Chemical Technology(Wutong Aroma )
3-Tetrahydrothiophen-3-one, Kosherk
M&U International
3-TETRAHYDROTHIOPHEN-3-ONE, Kosher
OQEMA
3-Tetrahydro Thiophenone
Pearlchem Corporation
Tetrahydrothiophene-3-one
Penta International
4,5-DIHYDRO-3(2H)THIOPHENONE, Kosher
R C Treatt & Co Ltd
Tetrahydrothiophen-3-one
Halal, Kosher
Odor: roast meat, buttery, cooked garlic, clam notes
Flavor: roasted
Used for roast & HVP flavors; at 0.5-5 ppm; used in coffee, chocolate, roast nut, toasted cereal, meat, spice, soup and savory flavours. Normal use levels in finished consumer product: 0.01-1 ppm.
Robinson Brothers
Tetrahydrothiophen-3-one F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
4,5-Dihydro-3(2H)-thiophenone
Sigma-Aldrich
4,5-Dihydro-3(2H)-thiophenone, ≥98%, FG
Odor: butter; meaty; alliaceous (onion, garlic)
Certified Food Grade Products
Sunaux International
Tetrahydrothiophen-3-one
Symrise
Tetrahydro thiophenone-3
Flavor: creamy, sulphurous, garlic, fatty
Useful in: brown nuts, brown coffee, brown others, dairy, vanilla, savory vegetable, savory meat, fruity yellow.
Synerzine
4,5-Dihydro-3 (2H)thiophenone
TCI AMERICA
For experimental / research use only.
4,5-Dihydro-3(2H)-thiophenone >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
3-Tetrahydrothiophenone
Tengzhou Xiang Yuan Aroma Chemicals
Tetrohydro Thienone
WholeChem
Tetrahydrothiophene-3-one
Wujiang CIYUN Flavor & Fragrance
Tetrahydrothiophen-3-one ≥98.0%
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 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 3-tetrahydrothiophenone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.44 (μg/capita/day)
Structure Class: II
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: 5
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: -1.00000
cheese: --
chewing gum: -1.00000
condiments / relishes: -1.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: -1.00000
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: -1.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.00000
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):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on the safety and efficacy of thiazoles, thiophene, thiazoline and thienyl derivatives (chemical group 29): 3-acetyl-2,5-dimethylthiophene when used as a flavouring for all animal species
View page or View pdf

Safety and efficacy of thiazoles, thiophene and thiazoline belonging to chemical group 29 when used as flavourings for all animal species
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):1003-04-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61252
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
thiolan-3-one
Chemidplus:0001003049
 
References:
 thiolan-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1003-04-9
Pubchem (cid):61252
Pubchem (sid):135016881
 
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):HMDB31242
FooDB:FDB003269
Export Tariff Code:2914.70.0090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:4,5-Dihydro-3(2H)-thiophenone
 
Potential Blenders and core components note
For Odor
No odor group found for these
satinaldehyde
FL/FR
alliaceous
alliaceous
dibutyl sulfide
FL/FR
dimethyl trisulfide
FL/FR
methyl furfuryl disulfide
FL/FR
buttery
acetoin
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
cyclamen aldehyde
FL/FR
cyclamen propanal
FR
hexyl nonanoate
FL/FR
hyacinth acetals
FL/FR
leerall
FR
ocean propanal
FL/FR
fruity
2-
heptyl butyrate
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
2-iso
butyl pyrazine
FL/FR
cucumber essence
FL/FR
geranium thiazole
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
4-
hexenol
FL/FR
2-
octen-1-ol
FL/FR
1-
penten-3-ol
FL/FR
iso
propyl decanoate
FL/FR
herbal
3-
butylidene phthalide
FL/FR
2-
cyclohexyl cyclohexanone
FR
melon
(Z)-6-
nonen-1-ol
FL/FR
minty
iso
propyl tiglate
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
benzothiazole
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
3-(
methyl thio) hexanol
FL/FR
waxy
propyl decanoate
FL/FR
For Flavor
No flavor group found for these
allyl methyl disulfide
FL
allyl propyl trisulfide
FL
2-iso
butyl pyrazine
FL/FR
dimethyl tetrasulfide
FL
dipropyl sulfide
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
2-
ethyl-4,5-dimethyl oxazole
FL
furfuryl propyl disulfide
FL
2-
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-4-
hexenal
FL
hexyl nonanoate
FL/FR
2-
hexyl thiophene
FL
2-
methyl thiazole
FL
4-(
methyl thio) butanol
FL
3-(
methyl thio) hexanal
FL
2-
methyl-6-propoxypyrazine
FL
iso
propyl decanoate
FL/FR
propyl decanoate
FL/FR
2-iso
propyl pyridine
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
thiophene
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
2-
methyl thioacetaldehyde
FL
tropical thiazole
FL/FR
truffle sulfide
FL
aromatic
hyacinth acetals
FL/FR
celery
3-
butylidene phthalide
FL/FR
coffee
methyl furfuryl disulfide
FL/FR
creamy
acetoin
FL/FR
fatty
2-
octen-1-ol
FL/FR
floral
ocean propanal
FL/FR
satinaldehyde
FL/FR
fruity
tropical trithiane
FL/FR
garlic
allyl methyl sulfide
FL
green
cucumber essence
FL/FR
cyclamen aldehyde
FL/FR
dibutyl sulfide
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
geranium thiazole
FL/FR
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
4-
methyl thiazole
FL
3-(5-
methyl-2-furyl) butanal
FL
2,4-
octadienal
FL
1-
penten-3-ol
FL/FR
2-
propyl pyrazine
FL
iso
propyl tiglate
FL/FR
propylene glycol acetone ketal
FL
meaty
benzothiazole
FL/FR
2,6-
dimethyl thiophenol
FL
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
metallic
4-
hexenol
FL/FR
3-(
methyl thio) hexanol
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
hexyl mercaptan
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
ethyl methyl mercaptopropionate
FL/FR
S-
ethyl thioacetate
FL
furfuryl thiopropionate
FL
grapefruit menthane
FL/FR
3-
mercapto-2-methyl pentanal
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl benzyl disulfide
FL
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
(Z)-6-
nonen-1-ol
FL/FR
 
Potential Uses:
FLcereal
FLchocolate
FLclam
FLcoffee
FLgarlic
FLmeat
FLnut
FLonion
FLsavory
FLsavory
 soup
FLspice
 
Occurrence (nature, food, other):note
 beef cooked beef
Search PMC Picture
 coffee
Search PMC Picture
 filbert roasted filbert
Search Trop Picture
 peanut roasted peanut
Search Trop Picture
 
Synonyms:
4,5-dihydro 3(2H) thiophenone synthetic
4,5-dihydro-3 (2H)thiophenone
 dihydro-3-(2H)-thiophenone
 dihydro-3(2H)-thiophenone
4,5-dihydro-3(2H)-thiophenone
4,5-dihydro-3(2H)thiophenone
4,5-dihydrothiophen-3(2H)-one
 sulfurome (IFF)
 sulfurome-015 (IFF)
 tetrahydro thiophenone-3
 tetrahydro-3-thiophenone
 tetrahydrothiophen-3-one
3-tetrahydrothiophen-3-one
3-oxotetrahydrothiophene
3-oxo-2,3,4,5-tetrahydrothiophene
 tetrahydrothiophene-3-one
3-thiacyclopentanone
 thiolan-3-one
3-thiolanone
3-thiophane
 thiophane-3-one
3-thiophanone
 thiophen-3-one, tetrahydro-
3-thiophenone
3(2H)-thiophenone, dihydro-
2,4,5-trihydrothiophen-3-one
 
 
Notes:
Present in cooked beef, coffee, roast filbert and roasted peanut. Food flavouring agent
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