Basic information
- CAS
94200-05-2- Standard SMILES
CCCCCC(CC)COC(=O)CCC- InChIKey
NVYHUJCPMVDGIV-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- 2-Ethylheptyl butyrate
- IUPAC
- 2-ethylheptyl butanoate
- English name
- 2-ethylheptyl butyrate
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34
Names & synonyms
2-Ethylheptyl butyrate94200-05-2EINECS 303-481-82-ethylheptyl butanoateSCHEMBL31486463DTXSID80916190NVYHUJCPMVDGIV-UHFFFAOYSA-NNS00065621Butyric acid 2-ethylheptyl esterButanoic acid, 2-ethylheptyl ester
Database identifiers
- CAS
94200-05-2- PubChem CID
- 3023945
- DTXSID
DTXSID80916190- EC Number
- 303-481-8
- Nikkaji
- J319.071D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- -51 °C · -51°C (estimate)
- Boiling point
- 254.49 °C · 254.49°C (estimate)
- Density
- 0.8629 · 0.8629 (estimate)
- refractive index
- 1.4001 · 1.4001 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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