Allyl 3-phenylpropionate
Basic information
- CAS
15814-45-6- Standard SMILES
C=CCOC(=O)CCc1ccccc1- InChIKey
XZZUAUYBSOXKLR-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- Allyl 3-phenylpropionate
- IUPAC
- prop-2-enyl 3-phenylpropanoate
- English name
- allyl 3-phenylpropionate
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
Allyl 3-phenylpropionate15814-45-6Benzenepropanoic acid, 2-propenyl esterEINECS 239-913-6Benzenepropanoic acid, 2-propen-1-yl esterDTXSID3065950RefChem:554832DTXCID0035085239-913-6Hydrocinnamic acid, allyl esterprop-2-enyl 3-phenylpropanoatePROP-2-EN-1-YL 3-PHENYLPROPANOATE
Show more names
Hydrocinnamic acid allyl esterBenzenepropionic acid allyl esterBenzenepropanoic acid allyl ester3-Phenylpropionic acid allyl ester3-Phenylpropanoic acid allyl esterBenzenepropionic acid 2-propenyl ester
Allyl 3-phenylpropanoate #SCHEMBL250955SCHEMBL261279803-phenyl-propionic acid allyl ester3-Phenylpropionic acid, allyl esterNS00025141Q65224684
Database identifiers
- CAS
15814-45-6- PubChem CID
- 85120
- DTXSID
DTXSID3065950- EC Number
- 239-913-6
- Nikkaji
- J103.855I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 150 °C · 150 °C(Press: 10 Torr)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · Allyl 3-phenylpropionate (15814-45-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanoic acid, 2-propen-1-yl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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