Basic information
- CAS
5451-88-7- Standard SMILES
CCCCC(=O)OCCCc1ccccc1- InChIKey
OKFJJLRWQHMYCM-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 3-Phenylpropyl valerate
- IUPAC
- 3-phenylpropyl pentanoate
- English name
- 3-phenylpropyl valerate
- Molecular formula
- C14H20O2
- Molecular weight
- 220.3074
Names & synonyms
3-Phenylpropyl valerateValeric acid, 3-phenylpropyl esterPentanoic acid, 3-phenylpropyl esterUNII-8528917KSGEINECS 226-690-5NSC-218738528917KSGDTXSID60202927NSC 218731-PROPANOL, 3-PHENYL-, VALERATERefChem:95352DTXCID90125418
Show more names
phenyl propyl valerateNsc21873Valeric acid hydrocinnamyl esterValeric acid 3-phenylpropyl ester
226-690-5OKFJJLRWQHMYCM-UHFFFAOYSA-N3-Phenylpropyl pentanoate5451-88-73-Phenylpropyl pentanoate #SCHEMBL3506216SCHEMBL88945843-phenylprop-1-yl n-pentanoate
Database identifiers
- CAS
5451-88-7- PubChem CID
- 79546
- DTXSID
DTXSID60202927- UNII
- 8528917KSG
- EC Number
- 226-690-5
- Nikkaji
- J155.082I
Properties
Computed structural properties
- XLogP
- 3.9
- 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
Physicochemical properties
- solubility
- Practically insoluble in water, soluble in alcohol and oils
- form
- Colourless liquid.
- Odor
- 100 % · at 100.00 %. fruity strawberry floral
- Odor Type
- fruity
- LogP
- 4.375 · 4.375 (est)
- FDA UNII
- 8528917 KSG · 8528917KSG
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Pentanoic acid, 3-phenylpropyl ester
Pentanoic acid, 3-phenylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Applications
Uses3-phenyl propyl valerate may find little use in perfume compositions, but its main use is in flavours. Its very deep-sweet, fruity-marmelade-like taste is appreciated in imitation Strawberry and Raspberry for hard candy, etc., where the stability and fixative effect of 3-phenylpropyl valerate come in handy. The concentration used will normally be equivalent to about 1 to 5 ppm in the finished product.
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
吉良化学21-62165282 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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