Basic information
- CAS
91933-26-5- Standard SMILES
CCCCCC(=O)OCC(CC)CC- InChIKey
OMRHEUVIDCMWHJ-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- 2-Ethylbutyl hexanoate
- IUPAC
- 2-ethylbutyl hexanoate
- English name
- Hexanoic acid, 2-ethylbutyl ester
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
2-Ethylbutyl hexanoate91933-26-5DTXSID40278569RefChem:86951DTXCID30229727OMRHEUVIDCMWHJ-UHFFFAOYSA-N2-Ethylbutyl CaproateNSC8246SCHEMBL2344891NSC-8246DS-013229
Database identifiers
- CAS
91933-26-5- PubChem CID
- 222349
- DTXSID
DTXSID40278569- Nikkaji
- J1.425.215K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 231.9 · 231.9±8.0 °C(Predicted)
- Density
- 0.869 · 0.869±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
吉良化学21-62165282 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
1 records
Compound notes
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