Basic information
- CAS
6994-20-3- Standard SMILES
CCCCCC(=O)OCC=Cc1ccccc1- InChIKey
BHXVENZBMFLCKE-UHFFFAOYSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Names & identifiers
- Preferred name
- 3-Phenylprop-2-en-1-yl hexanoate
- IUPAC
- 3-phenylprop-2-enyl hexanoate
- English name
- CINNAMYL CAPROATE
- Molecular formula
- C15H20O2
- Molecular weight
- 232.32
Names & synonyms
SCHEMBL4964052DTXSID2013026753-Phenyl-2-propen-1-yl hexanoate3-phenylprop-2-en-1-yl hexanoatecinnamyl hexanoateCINNAMYL CAPROATEHexanoic acid, 3-phenyl-2-propenyl esterHexanoic acid, 3-phenyl-2-propen-1-yl ester
Database identifiers
- CAS
6994-20-3- PubChem CID
- 243799
- DTXSID
DTXSID201302675
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- solubility
- Insoluble in water, poorly soluble in Propylene glycol, soluble in alcohol and oils
- color
- Colorless, slightly oily liquid
- Odor
- 100 % · at 100.00 %. fruity green spicy
- Odor Type
- fruity
- LogP
- 4.679 · 4.679 (est)
Chemistry & industry
Applications
UsesCinnamyl caproate is rarely used in perfumery, occasionally used in flavor compositions as a modifier for heavy-fruity compositions, not only Banana, but Plum, Pineapple, etc. and certain types of “Polynesian-fruit blends”.
Suppliers1 total
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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