Acetic acid, 2-hydroxy-, 2-phenylethyl ester
Basic information
- CAS
72928-38-2- Standard SMILES
O=C(CO)OCCc1ccccc1- InChIKey
GCWBOYJHPSTLAU-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- Acetic acid, 2-hydroxy-, 2-phenylethyl ester
- IUPAC
- 2-phenylethyl 2-hydroxyacetate
- English name
- 1-Hydroxy-1-phenylethyl acetate
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
Hydroxy acetic acid, 2-phenylethyl esterAcetic acid, 2-hydroxy-, 2-phenylethyl esterRefChem:552147Acetic acid, hydroxy-, 2-phenylethyl ester72928-38-22-Phenylethyl hydroxyacetateGlycolic acid, phenethyl esterSCHEMBL6025448SCHEMBL8890081DTXSID3072668GCWBOYJHPSTLAU-UHFFFAOYSA-N1-Hydroxy-1-phenylethyl acetate
Show more names
2-Hydroxyacetic acid 2-phenylethyl ester
Database identifiers
- CAS
72928-38-2- PubChem CID
- 522471
- DTXSID
DTXSID3072668- Nikkaji
- J447.268C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 300.584 · 300.584±17.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.939 · 12.939±0.10(predicted)
- EPA Substance Registry System
- 2 · Acetic acid, hydroxy-, 2-phenylethyl ester (72928-38-2)
- 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 InformationAcetic acid, 2-hydroxy-, 2-phenylethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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