2-Phenylethyl methoxyacetate
Basic information
- CAS
84682-19-9- Standard SMILES
COCC(=O)OCCc1ccccc1- InChIKey
LJRZTWFJDUIJGJ-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2-Phenylethyl methoxyacetate
- IUPAC
- 2-phenylethyl 2-methoxyacetate
- English name
- 2-phenylethyl methoxyacetate
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
2-Phenylethyl methoxyacetateRV6TFZ578J84682-19-9EINECS 283-581-5Methoxyacetic acid, 2-phenylethyl esterAcetic acid, methoxy-, 2-phenylethyl esterDTXSID50233669RefChem:478174DTXCID30156160283-581-5UNII-RV6TFZ578J2-Phenylethyl methoxyacetate #
Show more names
Methoxyacetic acid phenethyl esterMethoxyacetic acid 2-phenylethyl ester2-methoxyacetic acid 2-phenylethyl esterAcetic acid, 2-methoxy-, 2-phenylethyl ester
SCHEMBL7164706NS00038605
Database identifiers
- CAS
84682-19-9- PubChem CID
- 568896
- DTXSID
DTXSID50233669- UNII
- RV6TFZ578J
- EC Number
- 283-581-5
- Nikkaji
- J333.112A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 148.5 · 148.5-149 °C(Press: 18 Torr)
- Density
- 1.0806 g/cm3 · 1.0806 g/cm3(Temp: 17 °C)
- FDA UNII
- 6 TFZ578J · RV6TFZ578J
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 InformationChemical: Acetic acid, methoxy-, 2-phenylethyl ester
Other Safety InformationIMAP assessments - Acetic acid, methoxy-, 2-phenylethyl ester: Environment tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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