(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
  • 4-[2-(Morpholin-4-yl)pyrimidin-5-yl]isoquinoline
  • 2-Cyclopropyl-4-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-5-ethyl-6-methylpyrimidine
  • 4-Cyclobutyl-2-cyclopropyl-6-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}pyrimidine
  • 4-{[5-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzamide
  • 4-cyclopropyl-6-(4-{2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperazin-1-yl)-2-(methylsulfanyl)pyrimidine
  • 3-[4-(4-Methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
  • 4-({4-[6-Cyclopropyl-2-(methylsulfanyl)pyrimidin-4-yl]piperazin-1-yl}methyl)benzonitrile
  • 8-[(3-Chlorophenyl)methanesulfonyl]-4'-methyl-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholin]-5'-one
  • 1-{2-Methylimidazo[1,2-b]pyridazine-6-carbonyl}-4-(oxolane-2-carbonyl)piperazine
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
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