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

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Names

[ CAS No. ]:
63991-88-8

[ Name ]:
3-(o-Tolylthio)-1,2-propanediol

[Synonym ]:
3-o-Tolylmercapto-propan-1,2-diol
3-o-tolylsulfanyl-propane-1,2-diol

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

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

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 3-(o-Ethoxybenzyloxy)-1,2-propanediol
  • 3-(o-Formylphenoxy)-1,2-propanediol
  • 3-(o-Butoxyphenoxy)-1,2-propanediol
  • 3-(o-Butyrylphenoxy)-1,2-propanediol
  • 3-(o-Propylphenoxy)-1,2-propanediol
  • 3-(o-Ethylphenoxy)-1,2-propanediol
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2,4-difluoro-N-(2-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-[(tert-butylcarbamoyl)methyl]-3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-methylpropanamide
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine