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
  • 5-Aminomethyl-2-(3,3-dimethyl-butyryl)-pyridine
  • (3-Chloro-4-cyclopentyloxyphenyl)methanamine
  • 1-[4-(Hydroxymethyl)cyclohexyl]ethanone
  • 1-(3-methylphenyl)-5-pyridin-3-yl-1H-1,2,3-triazole-4-carboxylic acid
  • 4-(3,3-Dimethylbutoxy)benzonitrile
  • tert-butyl (2R)-4-ethyl-2-(piperazin-1-ylcarbonyl)piperazine-1-carboxylate
  • tert-Butyl (2R)-4-isopropyl-2-(piperazin-1-ylcarbonyl)piperazine-1-carboxylate
  • tert-butyl (2S)-2-(piperazin-1-ylmethyl)morpholine-4-carboxylate
  • (1-Ethylpiperidin-3-yl)methyl 4-methylbenzenesulfonate
  • tert-Butyl (3S)-3-{[4-(anilinocarbonyl)piperazin-1-yl]methyl}piperidine-1-carboxylate
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