Heptyl benzoate
Basic information
- CAS
7155-12-6- Standard SMILES
CCCCCCCOC(=O)c1ccccc1- InChIKey
UMFTYCUYCNMERS-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- Heptyl benzoate
- IUPAC
- heptyl benzoate
- English name
- Heptylbenzoate
- Molecular weight
- 0
Names & synonyms
Heptyl benzoate7155-12-6AV223R3A6MNSC-53805DTXSID60221794RefChem:1086454DTXCID90144285230-511-6Benzoic acid, heptyl esterHeptylbenzoaten-heptyl benzoateHeptyl benzoate #
Show more names
Ai3-06027Benzoic acid heptyl esterBenzyl Benzoate Impurity 37
UNII-AV223R3A6MSCHEMBL131377SCHEMBL8095886BENZO-IC ACID,HEPTYL ESTERNSC53805EINECS 230-511-6NSC 53805SBB061298
Database identifiers
- CAS
7155-12-6- PubChem CID
- 81591
- DTXSID
DTXSID60221794- UNII
- AV223R3A6M
- EC Number
- 230-511-6
- Nikkaji
- J167.506K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Odor
- 100 % · at 100.00 %. damp green freshly bruised sage leaves metallic
- Odor Type
- green
- LogP
- 5.181 · 5.181 (est)
- FDA UNII
- 223 R3A6M · AV223R3A6M
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Related reactions
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Compound notes
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