Hexyl 3-phenylprop-2-enoate
Basic information
- CAS
3488-00-4- Standard SMILES
CCCCCCOC(=O)C=Cc1ccccc1- InChIKey
UYWPFEKMTYDVQM-UHFFFAOYSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Names & identifiers
- Preferred name
- Hexyl 3-phenylprop-2-enoate
- IUPAC
- hexyl 3-phenylprop-2-enoate
- English name
- HEXYL CINNAMATE
- Molecular formula
- C15H20O2
- Molecular weight
- 232.32
Names & synonyms
hexyl 3-phenylprop-2-enoateSCHEMBL1170009DTXSID301317081Q9197458HEXYL CINNAMATEEinecs 222-479-7trans-cinnamicacidhexylester3-Phenylpropenoic acid hexyl ester3-phenyl-prop-2-enoicacidhexylester2-Propenoic acid, 3-phenyl-, hexyl ester
Database identifiers
- CAS
3488-00-4- PubChem CID
- 107396
- DTXSID
DTXSID301317081
Properties
Computed structural properties
- XLogP
- 5
- 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
- 227
Physicochemical properties
- Boiling point
- 334.7 · 334.7±11.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- solubility
- Insoluble in water, soluble in alcohol and oils, almost insoluble in Ropylcnc glycol.
- color
- Almost colorless oily liquid
- Odor
- Warm-hcrbaccous-balsamic odor with fruity -balsamic
- Odor Type
- balsamic
- LogP
- 4.833 · 4.833 (est)
- FDA UNII
- 532 UJ0Y6RI · 532UJ0Y6RI
Chemistry & industry
Applications
UsesHexyl cinnamate, not very commonly offered to the trade, Einds a little usc in perfumery to assist in producing the frcqucntIy desired 'powdery' notes in Ambrc type fragrances, or in the terminal notes of floral fragrances. It blends well with Styrax, Labdanum and the Mcthyliononcs, or with Mimosa, orrisy or woody notes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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