Methyl 3-phenoxybenzoate
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Basic information
- CAS
50789-43-0- Standard SMILES
COC(=O)c1cccc(Oc2ccccc2)c1- InChIKey
GWNMDCSPTJONPD-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- Methyl 3-phenoxybenzoate
- IUPAC
- methyl 3-phenoxybenzoate
- English name
- METHYL 3-PHENOXYBENZOATE
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
Methyl 3-phenoxybenzoate50789-43-0Benzoic acid, 3-phenoxy-, methyl esterDAU2SS7PEDDTXSID50198825RefChem:1089423DTXCID10121316256-764-2MFCD00017192Methyl-3-phenoxybenzoateEINECS 256-764-23-Methoxycarbonyldiphenyl ether
Show more names
RARECHEM AL BF 0058
BRN 21115813-methoxycarbonyldiphenyletherBenzoic acid,3-phenoxy-, methyl ester4-10-00-00320 (Beilstein Handbook Reference)SCHEMBL5218603-phenoxy-benzoicacimethylesterSCHEMBL2266392SCHEMBL5500091
Database identifiers
- CAS
50789-43-0- PubChem CID
- 198261
- DTXSID
DTXSID50198825- UNII
- DAU2SS7PED
- EC Number
- 256-764-2
- Nikkaji
- J32.023D
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 150 · 150-153 °C(Press: 1.5 Torr)
- Density
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- LogP
- 4.08 · 4.080 (est)
- FDA UNII
- 2 SS7PED · DAU2SS7PED
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P321
- Hazard Codes
- Xi
- HS Code
- 2918290090 · 2918290090
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
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338-P321
Related reactions
3 records
Compound notes
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