(2-methyl-4-oxopentan-2-yl) thiocyanate

Names

[ CAS No. ]:
26094-11-1

[ Name ]:
(2-methyl-4-oxopentan-2-yl) thiocyanate

[Synonym ]:
Rhodanpinacolin
1,1-Dimethyl-3-oxobutylthiocyanate
2-methyl-4-oxopentan-2-yl thiocyanate
Thiocyanic acid,1,1-dimethyl-3-oxobutyl ester

Chemical & Physical Properties

[ Density]:
1.058g/cm3

[ Boiling Point ]:
255.9ºC at 760 mmHg

[ Molecular Formula ]:
C7H11NOS

[ Molecular Weight ]:
157.23300

[ Flash Point ]:
108.5ºC

[ Exact Mass ]:
157.05600

[ PSA ]:
66.16000

[ LogP ]:
1.95838

[ Vapour Pressure ]:
0.0159mmHg at 25°C

[ Index of Refraction ]:
1.482

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK9372000
CHEMICAL NAME :
Thiocyanic acid, 1,1-dimethyl-3-oxobutyl ester
CAS REGISTRY NUMBER :
26094-11-1
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H11-N-O-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
BDKS** "Studien uber die Pharmakologie des Pinakolins und einiger seiner Derivate mit besonderer Berucksichtigung der Kreislaufwirkung, Dissertation," Bang, L., Pharmakologischen Abteilung des Karolinischen Instituts, Stockholm, Sweden, 1934 Volume(issue)/page/year: -,-,1934

Related Compounds

  • (2-methyl-4-oxopentan-2-yl) acetate
  • (2-methyl-4-oxopentan-2-yl) 2-methylprop-2-enoate
  • N-(2-methyl-4-oxopentan-2-yl)-N-propylprop-2-enamide
  • N-(2-methyl-4-oxopentan-2-yl)morpholine-4-carbothioamide
  • N-(2-methyl-4-oxopentan-2-yl)-2-oxocyclohexane-1-carbothioamide
  • N-(2-methyl-4-oxopentan-2-yl)-2-oxocyclopentane-1-carbothioamide
  • 2-Amino-3-(3-methoxyphenyl)-2-methylpropan-1-ol
  • 1-amino-3-(4-methyl-1H-imidazol-5-yl)propan-2-ol
  • 3-[3-Methoxy-5-(methoxymethyl)-2-methylpyridin-4-yl]prop-2-en-1-amine
  • 2,2-dimethyl-3-(4-methyl-1H-imidazol-5-yl)propanoic acid
  • 4-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}pyrrolidin-2-one
  • tert-butyl N-(2-acetyl-4-hydroxyphenyl)carbamate
  • tert-butyl N-[2-chloro-5-(1-methylpiperazin-2-yl)phenyl]carbamate
  • tert-butyl N-[2-(1-aminocyclohexyl)-4-hydroxyphenyl]carbamate
  • 1-[(3-{[(Tert-butoxy)carbonyl]amino}-4-chlorophenyl)methyl]cyclopropane-1-carboxylic acid
  • Tert-butyl 3-amino-1-(4-bromophenyl)cyclobutane-1-carboxylate
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