Ethyl 3-phenoxypropionate
Basic information
- CAS
22409-91-2- Standard SMILES
CCOC(=O)CCOc1ccccc1- InChIKey
TXKJOPXGYSFUNC-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Ethyl 3-phenoxypropionate
- IUPAC
- ethyl 3-phenoxypropanoate
- English name
- Ethyl 3-phenoxypropionate
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
ethyl 3-phenoxypropanoateEthyl 3-phenoxypropionate22409-91-2MFCD00026919ethyl3-phenoxypropanoateNSC406928SCHEMBL38664DTXSID50324526AKOS007930362NSC-406928Propanoic acid, 3-phenoxy-, ethyl esterAMY25615
Show more names
Ethyl 3-phenoxypropionate-98%3-Phenoxypropanoic acid ethyl ester3-PHENOXYPROPIONIC ACID ETHYL ESTERPROPANOIC ACID, 3-PHENOXY-ETHYL ESTER
FT-0626039A816183SCHEMBL4457893AS-58619DB-045903ST50407977G86014F574916
Database identifiers
- CAS
22409-91-2- PubChem CID
- 347973
- DTXSID
DTXSID50324526- Nikkaji
- J307.760H
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- Melting point
- 22 · 22-24°C
- Boiling point
- 141 · 141-143°C 11mm
- Density
- 1.084 · 1.084
- refractive index
- 1.5005 · 1.5005
- Flash point
- 141 · 141-143°C/11mm
- Specific Gravity
- 1.082 · 1.082
- BRN
- 2331072 · 2331072
- CAS DataBase Reference
- 22409 · 22409-91-2(CAS DataBase Reference)
- Safety Statements
- 24 · 24/25
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
- safety_code
- 24/25
Chemistry & industry
Applications
UsesEthyl 3-Phenoxypropanoate is used as a synthetic intermediate in the preparation of Phenoxypropionic acids and other Chromanone derivatives.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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