diphenylenemethane sulfide


CAS Number: 261-31-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 205-972-1
FDA UNII: 1J3P67894A
Nikkaji Web: J5.444E
Beilstein Number: 133941
XlogP3: 3.90 (est)
Molecular Weight: 198.28770000
Formula: C13 H10 S
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: antioxidants
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: 128.50 °C. @ 760.00 mm Hg
Boiling Point: 341.00 °C. @ 760.00 mm Hg
Flash Point: 295.00 °F. TCC ( 146.30 °C. ) (est)
logP (o/w): 4.330 (est)
Soluble in:
 water, 1.751 mg/L @ 25 °C (est)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: antioxidants
hair conditioning
Santa Cruz Biotechnology
For experimental / research use only.
For experimental / research use only.
Thioxanthine European Pharmacopoeia (EP) Reference Standard
For experimental / research use only.
2-Thioxanthine >80.0%(HPLC)
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
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: antioxidants
Recommendation for thioxanthine usage levels up to:
 not for fragrance use.
Recommendation for thioxanthine flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
Env. Mutagen Info. Center: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 67495
National Institute of Allergy and Infectious Diseases: Data
Chemidplus: 0000261314
RTECS: UP0825000 for cas# 261-31-4
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 67495
Pubchem (sid): 135023938
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
HMDB (The Human Metabolome Database): HMDB60418
Export Tariff Code: 2933.99.9700
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other): note
 not found in nature
 diphenylenemethane sulfide
None found
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