Articles:
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2-oxothiolane
Notes:
Component of roasted coffee beans
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 1003-10-7 4-Thiobutyrolactone
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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Endeavour Specialty Chemicals Ltd Expertise in high impact aroma chemicals Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale. Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site. Email: Info Email: Sales Voice: +44 (0)1327 310 079 Fax: +44 (0)1327 310 701 Twitter Linkedin News Speciality Chemical Product Groups Product(s): SH0070 4-Butyrothiolactone
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Robinson Brothers Limited Providing Excellence in Chemistry Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation. Email: Info Email: Sales Voice: +44 (0)121 553 2451 Fax: +44 (0)121 500 5183 Twitter Linkedin News And Exhibitions Custom Synthesis Industries And Applications https://www.robinsonbrothers.uk/chemistry-competences Products List: View Product(s): SH0070 4-Butyrothiolactone
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| 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 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 | |
| Odor Strength: | high , recommend smelling in a 0.01 % solution or less |
| 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% |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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- |