Basic information
- CAS
94200-07-4- Standard SMILES
CCCCCC(CC)COC(=O)C(C)C- InChIKey
WTUQRNIKYKFKCP-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- 2-Ethylheptyl isobutyrate
- IUPAC
- 2-ethylheptyl 2-methylpropanoate
- English name
- 2-ethylheptyl isobutyrate
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34434
Names & synonyms
2-Ethylheptyl isobutyrate94200-07-4EINECS 303-483-92-ethylheptyl 2-methylpropanoateDTXSID10916188WTUQRNIKYKFKCP-UHFFFAOYSA-NNS000652502-Methylpropionic acid 2-ethylheptyl ester
Database identifiers
- CAS
94200-07-4- PubChem CID
- 3023947
- DTXSID
DTXSID10916188- EC Number
- 303-483-9
- Nikkaji
- J319.073K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 164
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
- 1.3981 · 1.3981 (estimate)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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