methyl 2-ethyl hexanoate

Modify Date: 2025-08-25 16:55:24

methyl 2-ethyl hexanoate Structure
methyl 2-ethyl hexanoate structure
Common Name methyl 2-ethyl hexanoate
CAS Number 816-19-3 Molecular Weight 158.23800
Density 0.874g/cm3 Boiling Point 176.5ºC at 760 mmHg
Molecular Formula C9H18O2 Melting Point N/A
MSDS N/A Flash Point 59.4ºC

 Names

Name methyl 2-ethylhexanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.874g/cm3
Boiling Point 176.5ºC at 760 mmHg
Molecular Formula C9H18O2
Molecular Weight 158.23800
Flash Point 59.4ºC
Exact Mass 158.13100
PSA 26.30000
LogP 2.37580
Index of Refraction 1.416
InChIKey KICUISADAVMYCJ-UHFFFAOYSA-N
SMILES CCCCC(CC)C(=O)OC

 Synthetic Route

 methyl 2-ethyl hexanoateBioassay

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Name: Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assa...
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL1762938
Name: Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assa...
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL1762939
Name: Inhibition of Cryptococcus neoformans Can2 beta-carbonic anhydrase by stopped flow CO...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1762940
Name: Inhibition of Candida albicans Nce103 beta-carbonic anhydrase by stopped flow CO2 hyd...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1762941
Name: Selectivity ratio of Ki for human cytosolic carbonic anhydrase 2 to Ki for Cryptococc...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1762942
Name: Selectivity ratio of Ki for human cytosolic carbonic anhydrase 2 to Ki for Candida al...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1762943
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 Synonyms

Hexanoic acid,2-ethyl-,methyl ester
2-Aethyl-hexansaeure-methylester
methyl 2-ethyl hexanoate
2-ethyl-hexanoic acid methyl ester
Methyl-2-Butyl-Butyrate
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