4-(Phenoxymethyl)benzoate
Basic information
- CAS
31719-76-3- Standard SMILES
O=C([O-])c1ccc(COc2ccccc2)cc1- InChIKey
GRBUVHSYBRTCIB-UHFFFAOYSA-M- Molecular formula
- C14H11O3-
- Average molar mass
- 227.23 g/mol
- Monoisotopic mass
- 227.07081921
Names & identifiers
- Preferred name
- 4-(Phenoxymethyl)benzoate
- IUPAC
- 4-(phenoxymethyl)benzoate
- English name
- 4-(Phenoxymethyl)benzenecarboxylic acid
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
4-(phenoxymethyl)benzoateDTXSID00953668CHEMBRDG-BB 70352074-PHENOXYMETHYL-BENZOIC ACIDBenzoic acid, 4-(phenoxymethyl)-4-(Phenoxymethyl)benzenecarboxylic acid4-(phenoxymethyl)benzoic acid(SALTDATA: FREE)
Database identifiers
- CAS
31719-76-3- PubChem CID
- 6933593
- DTXSID
DTXSID00953668
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- -1
- Complexity
- 232
Physicochemical properties
- Melting point
- 223 · 223-226°C
- Boiling point
- 401.8 · 401.8±28.0 °C(Predicted)
- Density
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.19 · 4.19±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 31719 · 31719-76-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
- HS Code
- 2918999090 · 2918999090
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
- 2918999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: 4-(Phenoxymethyl)benzoic acid is a member of benzoic acids.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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