Acetic acid,2-thiocyanato-, 3,3,5-trimethylcyclohexyl ester

Modify Date: 2025-08-27 13:46:20

Acetic acid,2-thiocyanato-, 3,3,5-trimethylcyclohexyl ester Structure
Acetic acid,2-thiocyanato-, 3,3,5-trimethylcyclohexyl ester structure
Common Name Acetic acid,2-thiocyanato-, 3,3,5-trimethylcyclohexyl ester
CAS Number 6338-71-2 Molecular Weight 241.35000
Density 1.09g/cm3 Boiling Point 330.8ºC at 760 mmHg
Molecular Formula C12H19NO2S Melting Point N/A
MSDS N/A Flash Point 153.8ºC

 Names

Name (3,3,5-trimethylcyclohexyl) 2-thiocyanatoacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.09g/cm3
Boiling Point 330.8ºC at 760 mmHg
Molecular Formula C12H19NO2S
Molecular Weight 241.35000
Flash Point 153.8ºC
Exact Mass 241.11400
PSA 75.39000
LogP 2.95868
Index of Refraction 1.503
InChIKey QAMJSLWZOIZUIZ-UHFFFAOYSA-N
SMILES CC1CC(OC(=O)CSC#N)CC(C)(C)C1

 Safety Information

HS Code 2930909090

 Synthetic Route

~%

Acetic acid,2-thiocyanato-, 3,3,5-trimethylcyclohexyl ester Structure

Acetic acid,2-t...

CAS#:6338-71-2

Literature: Shell Devel. Co. Patent: US2409329 , 1944 ; Full Text Show Details Shell Devel. Co. Patent: US2394280 , 1943 ;

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

3,3,5-trimethylcyclohexyl thiocyanatoacetate
Opt.-inakt. 5-Thiocyanatoacetoxy-1.1.3-trimethyl-cyclohexan
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