tioxolone
1,3-benzoxathiol-2-one, 6-hydroxy-
 
Notes:
antiseborrheic agent.
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6-hydroxy-1,3-benzoxathiol-2-one (Click)
CAS Number: 4991-65-5Picture of molecule
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:
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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)
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Organoleptic Properties:
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: astringents
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Suppliers:
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%
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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.

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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.
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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
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References:
 6-hydroxy-1,3-benzoxathiol-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 72139
Pubchem (sid): 135029886
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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
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2934.90.4000
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1,3-benzoxathiol-2-one, 6-hydroxy-
6-hydroxy-1,3-benzoxathiol-2-one
 thioxolone
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Articles:
PubMed: Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II.
PubMed: Benzothioxalone derivatives as novel inhibitors of UDP-N-acetylglucosamine enolpyruvyl transferases (MurA and MurZ).
PubMed: Carbonic anhydrase inhibitors: thioxolone versus sulfonamides for obtaining isozyme-selective inhibitors?
PubMed: Inhibition of carbonic anhydrase II by thioxolone: a mechanistic and structural study.
PubMed: Inhibition profiling of human carbonic anhydrase II by high-throughput screening of structurally diverse, biologically active compounds.
PubMed: The supramolecular structure of 6-hydroxy-1,3-benzoxathiol-2-one (tioxolone).
PubMed: Contact dermatitis from thioxolone.
PubMed: Mechanism of allergic cross-reactions--I. Multispecific binding of ligands to a mouse monoclonal anti-DNP IgE antibody.
PubMed: Contact dermatitis to thioxolone.
PubMed: Contact dermatitis to thioxolone.
PubMed: [Local treatment of acne with tioxolone].
PubMed: [Alcoholized gel of thioxolone in treatment of juvenile acne. Apropos of 36 cases].
PubMed: [POLAROGRAPHY OF THIOXOLONE DERIVATIVES. 3. DECOMPOSITION OF CHLOROTHIOXOLONE IN ALKALINE SOLUTION].
PubMed: [POLAROGRAPHY OF THIOXOLONE DERIVATIVES. II. DETERMINATION OF THIOXOLONE IN THE DRUGS].
PubMed: [POLAROGRAPHY OF THIOXOLONE DERIVATIVES. I. DECOMPOSITION OF THIOXOLONE IN ALKALINE SOLUTION].
PubMed: [STUDIES ON CHEMOTHERAPEUTICAL DRUGS. I. STUDIES ON THIOXOLONE DERIVATIVES].
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