4-Methyl-alpha-phenylbenzeneacetic acid
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Basic information
- CAS
1882-56-0- Standard SMILES
Cc1ccc(C(C(=O)O)c2ccccc2)cc1- InChIKey
JYDAJZSDPZCZSG-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 4-Methyl-alpha-phenylbenzeneacetic acid
- IUPAC
- 2-(4-methylphenyl)-2-phenylacetic acid
- English name
- Phenyl(p-tolyl)acetic acid
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
1882-56-04-Methyl-alpha-phenylbenzeneacetic acidDTXSID001295111RefChem:1071126DTXCID9017256422-(4-Methylphenyl)-2-phenylacetic acidPhenyl(p-tolyl)acetic acid(4-methylphenyl)(phenyl)acetic acid2-phenyl-2-(p-tolyl)acetic acid2-Phenyl-2-(p-tolyl)aceticacidACETIC ACID, PHENYL-p-TOLYL-MFCD00983826
Show more names
Benzeneacetic acid, 4-methyl-α-phenyl-2-(4-Methylphenyl)-2-phenylethanoic acid, 4-[Carboxy(phenyl)methyl]toluene
Benzeneacetic acid, 4-methyl-.alpha.-phenyl-Benzeneacetic acid, 4-methyl-alpha-phenyl-NSC 401984BRN 2105437NSC401984Phenyl-p-tolylessigsaure4-09-00-02541 (Beilstein Handbook Reference)F2184-0205
Database identifiers
- CAS
1882-56-0- PubChem CID
- 15890
- DTXSID
DTXSID001295111- Nikkaji
- J54.964I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 83 · 83-84 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 309.1 · 309.1±9.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 4.83 · 4.83±0.10(Predicted)
- 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
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
1 records
Compound notes
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