Basic information
- CAS
10290-01-4- Standard SMILES
CC(C)(O)C(=O)OCCc1ccccc1- InChIKey
KMIPJIHGWNMYRS-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- Isobutyric acid, alpha-hydroxy-, 2-phenylethyl ester
- IUPAC
- 2-phenylethyl 2-hydroxy-2-methylpropanoate
- English name
- 2-Hydroxy-2-methylpropanoic acid 2-phenylethyl ester
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
10290-01-4ISOBUTYRIC ACID, alpha-HYDROXY-, 2-PHENYLETHYL ESTERDTXSID20145563RefChem:1087522DTXCID20680542-phenylethyl 2-hydroxy-2-methylpropanoate2-Hydroxy-2-methylpropanoic acid 2-phenylethyl ester2-hydroxy-2-methyl-propionic acid phenethyl esteralpha-Hydroxyisobutyric acid 2-phenylethyl ester2-Phenylethyl alpha-hydroxyisobutyrateBRN 27222722-Fenylethylester kyseliny alpha-hydroxyisomaselne [Czech]
Show more names
Propanoic acid, 2-hydroxy-2-methyl-, 2-phenylethyl ester
2-Fenylethylester kyseliny alpha-hydroxyisomaselne3-06-00-01712 (Beilstein Handbook Reference)
Database identifiers
- CAS
10290-01-4- PubChem CID
- 25129
- DTXSID
DTXSID20145563- Nikkaji
- J41.084E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 316.6 · 316.6±17.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 13.07 · 13.07±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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