ChemicalBook--->CAS DataBase List--->100453-11-0

100453-11-0

100453-11-0 Structure

100453-11-0 Structure
IdentificationBack Directory
[Name]

Ethyl 1-methylbutyl cyanoacetate
[CAS]

100453-11-0
[Synonyms]

ethyl 1-methylbutyl cyanoacetate
ETHYL 2-CYANO-2-ETHYL-3-METHYLHEXANOATE
(2S)-ethyl 2-cyano-2-ethyl-3-methylhexanoate
Ethyl-1-methylbutylcyanoacetic acid, ethyl ester
2-CYANO-2-ETHYL-3-METHYLEXANOIC ACID ETHYL ESTER
2-cyano-2-ethyl-3-methylhexanoic acid ethyl ester
Hexanoic acid, 2-cyano-2-ethyl-3-methyl-, ethyl ester
[EINECS(EC#)]

700-063-0
[Molecular Formula]

C12H21NO2
[MDL Number]

MFCD00799271
[MOL File]

100453-11-0.mol
[Molecular Weight]

211.3
Chemical PropertiesBack Directory
[Boiling point ]

241°C
[density ]

0.943
[vapor pressure ]

0.3Pa at 24.85℃
[Fp ]

105°C
[storage temp. ]

2-8°C
[solubility ]

soluble in DCM, Ethyl Acetate
[Water Solubility ]

33.54mg/L at 25℃
[LogP]

3.27 at 20℃
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard InformationBack Directory
[Uses]

2-Cyano-2-ethyl-3-methylhexanoic Acid Ethyl Ester-d5 is an intermediate in the synthesis of isotope labelled Pentobarbital (P276000) derivatives.
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