gamma-thiobutyrolactone
2-oxothiolane

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  Product(s):
  1003-10-7 4-Thiobutyrolactone

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  SH0070 4-Butyrothiolactone

Name: thiolan-2-one CAS Number: 1003-10-7 3D/inchi ECHA EINECS - REACH Pre-Reg: 213-700-8 FDA UNII: A3ERZ734SN Nikkaji Web: J36.541F Beilstein Number: 0105273 MDL: MFCD00005479 XlogP3-AA: 0.70 (est) Molecular Weight: 102.15602000 Formula: C4 H6 O S BioActivity Summary: listing NMR Predictor: Predict (works with chrome, Edge 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: 1923 2-oxothiolane FEMA Number: 4570 2-oxothiolane FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 1003-10-7 ; 2-OXOTHIOLANE   Physical Properties: Appearance: colorless to yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.17500 to 1.18500 @ 20.00 °C. Pounds per Gallon - (est).: 9.789 to 9.872 Refractive Index: 1.51800 to 1.52800 @ 20.00 °C. Boiling Point: 195.00 to 197.00 °C. @ 760.00 mm Hg Boiling Point: 39.00 to 40.00 °C. @ 1.00 mm Hg Vapor Pressure: 0.380000 mmHg @ 25.00 °C. (est) Flash Point: 189.00 °F. TCC ( 87.22 °C. ) logP (o/w): 1.039 (est) Soluble in:   alcohol   water, 3.525e+004 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: garlic burnt garlic Odor Description:at 0.01 % in propylene glycol. burnt garlic Flavor Type: burnt burnt chemical Taste Description: burnt chemical Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 4-Thiobutyrolactone Endeavour Specialty Chemicals 4-Butyrothiolactone Speciality Chemical Product Groups Robinson Brothers 4-Butyrothiolactone https://www.robinsonbrothers.uk/chemistry-competences Santa Cruz Biotechnology For experimental / research use only. gamma-Thiobutyrolactone 98% Sigma-Aldrich: Aldrich For experimental / research use only. gamma-Thiobutyrolactone 98% sds Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information: Preferred SDS: View European information : Most important hazard(s): Xn - Harmful. R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 36/39 - Wear suitable clothing 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: intraperitoneal-mouse LD50 199 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Medicinal Chemistry. Vol. 14, Pg. 846, 1971. oral-mouse LD50 1860 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for gamma-thiobutyrolactone usage levels up to:   not for fragrance use.   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: 24 Click here to view publication 24   average usual ppm average maximum ppm baked goods: 0.00200 0.02000 beverages(nonalcoholic): 0.00030 0.00300 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: 0.02000 0.20000 condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: 0.02000 0.20000 fish products: - - frozen dairy: 0.00060 0.00600 fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 0.00200 0.02000 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: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):1003-10-7 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :13852 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 thiolan-2-one Chemidplus:0001003107 RTECS:XN1930000 for cas# 1003-10-7   References:   thiolan-2-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 13852 Pubchem (sid): 134979589   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 CHEBI: View CHEMBL: View HMDB (The Human Metabolome Database): HMDB31253 FooDB: FDB003286 Export Tariff Code: 2932.29.5050 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View FAO: 2-Oxothiolane   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   coffee roasted coffee Search PMC Picture   Synonyms: 4- butyrothiolactone   dihydro-2-(3H)-thiophenone   dihydro-2(3H)-thiophenone   dihydro-thiophen-2-one   dihydrothiophen-2(3H)-one   tetrahydro-2-thiophenone 2-oxo tetrahydrothiophene   thiacyclopentan-2-one 4- thiobutyrolactone g- thiobutyrolactone   thiolan-2-one 2-oxo thiolane 2(3H)- thiophenone, dihydro- 2- thiophenone, tetrahydro- 2(3H)- thiophenone,dihydro-   Articles:   None found yet. 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Notes: Component of roasted coffee beans