We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

3-tetrahydrothiophenone

Chemical Structure

General Material Information

Preferred name 3-tetrahydrothiophenone
Trivial Name Tetrahydrothiophen-3-one
Short Description 4,5-dihydro-3(2H)-thiophenone
Formula C4 H6 O S
CAS Number 1003-04-9
FEMA Number 3266
Flavis Number 15.012
ECHA Number 213-698-9
FDA UNII 0E9MKH53DV
Nikkaji Number J150.108I
Beilstein Number 00105201
MDL MFCD00005412
COE Number 2337
xLogP3-AA 0.40 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 498 4,5-dihydro-3(2H)-thiophenone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1003-04-9 ; 4,5-DIHYDRO-3(2H)THIOPHENONE
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-oxo tetrahydrothiophene
  • 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
  • 3(2H)-Thiophenone, dihydro-
  • 3-Thiophanone
  • 3-Thiacyclopentanone
  • 4,5-Dihydrothiophen-3(2H)-one
  • 3-Oxo-2,3,4,5-tetrahydrothiophene
  • 3-Oxotetrahydrothiophene
  • NSC 241151
  • Dihydrothiophen-3-one
  • Tetrahydrothien-3-one
  • Dihydrothien-3(2H)-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Literature & References

thiolan-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1003-04-9
Pubchem (cid):61252
Pubchem (sid):135016881
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

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):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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 102.15602111816
Specific gravity @ 25 °C
Pounds per Gallon 10.002 to 10.043
Refractive Index 1.527 to 1.531 @ 20 °C
Boiling Point 86 to 87°C @ 25 mm Hg
Vapor Pressure 1.161 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 77.22 °C TCC
logP (o/w) 0.222 est
Shelf life 12 months (or longer if stored properly.)
Storage notes Store under nitrogen.
Solubility
alcohol Yes
water, 1.924e+005 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Alliaceous
garlic, meaty, green, vegetable, clam, buttery, alliaceous, cooked
General comment At 0.10 % in dipropylene glycol. garlic meaty green vegetables clams buttery
Mosciano, Gerard P&F 15, No. 1, 19, (1990) Alliaceous, cooked meaty with green vegetable nuances
Flavor Type: Alliaceous
alliaceous, onion, garlic, coffee, chive, cooked, meaty, vegetable
General comment Alliaceous onion garlic coffee chive
Mosciano, Gerard P&F 15, No. 1, 19, (1990) At 15.00 ppm. Onion, garlic, cooked meaty with vegetable nuances
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. Roasted
Useful in: brown nuts, brown coffee, brown others, dairy, vanilla, savory vegetable, savory meat, fruity yellow. Onion, Garlic, Sulfurous, Egg

Occurrences

Potential Uses

Applications
Flavoring purposes Cereal, Chocolate, Clam, Coffee, Garlic, Meat, Nut, Onion, Savory, Savory, Soup, Spice

Safety Information

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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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