2-Phenylethyl 3-hydroxypropanoate
Basic information
- CAS
10138-63-3- Standard SMILES
O=C(CCO)OCCc1ccccc1- InChIKey
ASEYDOIBHUMWAV-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Overview
See also: Propanoic acid, 3-hydroxy-, 2-phenylethyl ester (annotation moved to).
Names & identifiers
- Preferred name
- 2-Phenylethyl 3-hydroxypropanoate
- IUPAC
- 2-phenylethyl 3-hydroxypropanoate
- English name
- Phenyl ethyl lactate
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
2-phenylethyl 3-hydroxypropanoateDTXSID50906104RefChem:1064164DTXCID00133520210138-63-3PHENYL ETHYL LACTATEHydracrylic acid, phenethyl esterPhenethyl 2-hydroxypropionateHydracrylic acid, beta-phenylethyl esterphenethyl 3-hydroxypropanoateSCHEMBL7290575SCHEMBL7290583
Show more names
phenethyl lactatehydracrylicacid,phenethylester2-Hydroxypropionic acid 2-phenylethyl ester3-Hydroxypropanoic acid 2-phenylethyl esterPropanoic acid, 3-hydroxy-, 2-phenylethyl ester
ASEYDOIBHUMWAV-UHFFFAOYSA-NAKOS006276521
Database identifiers
- CAS
10138-63-3- PubChem CID
- 82397
- DTXSID
DTXSID50906104- Nikkaji
- J49.470D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 290.67 °C · 290.67°C (rough estimate)
- Density
- 1.113 · 1.1130 (rough estimate)
- refractive index
- 1.503 · 1.5030 (estimate)
- pka
- 14.31 · 14.31±0.10(Predicted)
- Odor
- 100 % · at 100.00 %. very mild bland sweet rose
- Odor Type
- floral
- LogP
- 1.257 · 1.257 (est)
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Related reactions
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Compound notes
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