3-(o-Tolylthio)-1,2-propanediol

Modify Date: 2025-09-26 00:58:18

3-(o-Tolylthio)-1,2-propanediol Structure
3-(o-Tolylthio)-1,2-propanediol structure
 Common Name 3-(o-Tolylthio)-1,2-propanediol
CAS Number 63991-88-8 Molecular Weight 198.28200
Density 1.2g/cm3 Boiling Point 366.9ºC at 760mmHg
Molecular Formula C10H14O2S Melting Point N/A
MSDS N/A Flash Point 178.4ºC

 Names

Name 3-(2-methylphenyl)sulfanylpropane-1,2-diol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2g/cm3
Boiling Point 366.9ºC at 760mmHg
Molecular Formula C10H14O2S
Molecular Weight 198.28200
Flash Point 178.4ºC
Exact Mass 198.07100
PSA 65.76000
LogP 1.44030
Index of Refraction 1.597
InChIKey SQTKLANYSYZUQC-UHFFFAOYSA-N
SMILES Cc1ccccc1SCC(O)CO

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ1470000
CHEMICAL NAME :
1,2-Propanediol, 3-(o-tolylthio)-
CAS REGISTRY NUMBER :
63991-88-8
BEILSTEIN REFERENCE NO. :
3251796
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H14-O2-S
MOLECULAR WEIGHT :
198.30
WISWESSER LINE NOTATION :
Q1YQ1SR B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle weakness Lungs, Thorax, or Respiration - other changes
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,470,1948

 Synonyms

3-o-Tolylmercapto-propan-1,2-diol
3-o-tolylsulfanyl-propane-1,2-diol
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