ethyl 2-isothiocyanato-3-methyl-butanoate

Modify Date: 2025-08-29 13:42:03

ethyl 2-isothiocyanato-3-methyl-butanoate Structure
ethyl 2-isothiocyanato-3-methyl-butanoate structure
Common Name ethyl 2-isothiocyanato-3-methyl-butanoate
CAS Number 26349-76-8 Molecular Weight 187.25900
Density 1.06g/cm3 Boiling Point 249ºC at 760 mmHg
Molecular Formula C8H13NO2S Melting Point N/A
MSDS N/A Flash Point 104.4ºC

 Names

Name ethyl 2-isothiocyanato-3-methylbutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.06g/cm3
Boiling Point 249ºC at 760 mmHg
Molecular Formula C8H13NO2S
Molecular Weight 187.25900
Flash Point 104.4ºC
Exact Mass 187.06700
PSA 70.75000
LogP 1.67690
Vapour Pressure 0.0235mmHg at 25°C
Index of Refraction 1.497
InChIKey MWCPMVGNNCNZPM-UHFFFAOYSA-N
SMILES CCOC(=O)C(N=C=S)C(C)C

 Safety Information

HS Code 2930909090

 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

2-Isothiocyanato-3-methylbutyric acid ethyl ester
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