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

Modify Date: 2025-09-22 18:35:11

(2-methyl-4-oxopentan-2-yl) thiocyanate Structure
(2-methyl-4-oxopentan-2-yl) thiocyanate structure
 Common Name (2-methyl-4-oxopentan-2-yl) thiocyanate
CAS Number 26094-11-1 Molecular Weight 157.23300
Density 1.058g/cm3 Boiling Point 255.9ºC at 760 mmHg
Molecular Formula C7H11NOS Melting Point N/A
MSDS N/A Flash Point 108.5ºC

 Names

Name (2-methyl-4-oxopentan-2-yl) thiocyanate
Synonym More Synonyms

 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

 Synonyms

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