Undecyl benzoate
Basic information
- CAS
6316-30-9- Standard SMILES
CCCCCCCCCCCOC(=O)c1ccccc1- InChIKey
YEHGKFOTJWYCBN-UHFFFAOYSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893013
Names & identifiers
- Preferred name
- Undecyl benzoate
- IUPAC
- undecyl benzoate
- English name
- Benzoic acid, undecyl ester
- Molecular formula
- C18H28O2
- Molecular weight
- 276.41
Names & synonyms
Undecyl benzoate6316-30-9Benzoic acid, undecyl esterDTXSID60281712RefChem:386915DTXCID20232866YEHGKFOTJWYCBN-UHFFFAOYSA-NbenzoyloxyundecanUndecyl benzoate #SCHEMBL10532726NSC22588NSC-22588
Show more names
1-Undecanol, 1-benzoate
NS00096101Q63396139
Database identifiers
- CAS
6316-30-9- PubChem CID
- 229159
- DTXSID
DTXSID60281712- Nikkaji
- J47.220D
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 68 · 68-70 °C
- Boiling point
- 368.5 · 368.5±10.0 °C(Predicted)
- Density
- 0.945 · 0.945±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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