Basic information
- CAS
5457-63-6- Standard SMILES
CCCCCCCC(=O)Oc1ccccc1C- InChIKey
NMAANFSPVGBLMC-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 2-Methylphenyl octanoate
- IUPAC
- (2-methylphenyl) octanoate
- English name
- Octanoic acid,2-methylphenyl ester
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33
Names & synonyms
2-Methylphenyl octanoate5457-63-6DTXSID30282054Octanoic acid, 2-methylphenyl esterRefChem:263926DTXCID30233208NMAANFSPVGBLMC-UHFFFAOYSA-Northo-cresyl octanoate2-Methylphenyl octanoate #NSC23964NSC-23964Octanoic acid,2-methylphenyl ester
Database identifiers
- CAS
5457-63-6- PubChem CID
- 229897
- DTXSID
DTXSID30282054
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 316.2 · 316.2±11.0 °C(Predicted)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- LogP
- 5.065 · 5.065 (est)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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