Articles:
1,3-benzoxathiol-2-one, 6-hydroxy-
Notes:
antiseborrheic agent.
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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): 4991-65-5 Tioxolone >98% Tioxolone is a metalloenzyme carbonic anhydrase I inhibitor with a Ki of 91 nM.
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| CAS Number: | 4991-65-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 225-653-0 | |
| FDA UNII: | S0FAJ1R9CD | |
| MDL: | MFCD00005859 | |
| XlogP3-AA: | 1.90 (est) | |
| Molecular Weight: | 168.17148000 | |
| Formula: | C7 H4 O3 S | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: astringents
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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 160.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 377.80 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 360.00 °F. TCC ( 182.30 °C. ) (est) |
| logP (o/w): | 1.770 (est) |
| Soluble in: | |
| water, 9005 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
astringents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Tioxolone >98%
Odor: characteristic Use: Tioxolone is a metalloenzyme carbonic anhydrase I inhibitor with a Ki of 91 nM. |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 6-Hydroxy-1,3-benzoxathiol-2-one |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 6-Hydroxy-1,3-benzoxathiol-2-one ≥98% |
Safety Information:
| Preferred SDS: View | |
| 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: | |
|
oral-rat LD50 633 mg/kg LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BLOOD: HEMORRHAGE Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 64(3), Pg. 63, 1999. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
|
inhalation-rat LC50 3710 mg/m3 BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 64(3), Pg. 63, 1999. | |
Safety in Use Information:
| Category: | astringents | ||
| Recommendation for tioxolone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for tioxolone flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 72139 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 6-hydroxy-1,3-benzoxathiol-2-one | |
| Chemidplus: | 0004991655 |
| RTECS: | DM2953750 for cas# 4991-65-5 |
References:
| 6-hydroxy-1,3-benzoxathiol-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 72139 |
| Pubchem (sid): | 135029886 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2934.90.4000 |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 1,3- | benzoxathiol-2-one, 6-hydroxy- |
| 6- | hydroxy-1,3-benzoxathiol-2-one |
| thioxolone |