2,3-Diphenylpropionic acid
Basic information
- CAS
3333-15-1- Standard SMILES
O=C(O)C(Cc1ccccc1)c1ccccc1- InChIKey
PCRICPYPVZKEBZ-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 2,3-Diphenylpropionic acid
- IUPAC
- 2,3-diphenylpropanoic acid
- English name
- 2,3-Diphenylpropionic acid
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
2,3-diphenylpropanoic acid2,3-Diphenylpropionic acidEINECS 222-065-6NSC 11135NSC 49DTXSID801311088RefChem:442585DTXCID901740913222-065-63333-15-1MFCD000444052,3-Diphenyl-Propionic Acid
Show more names
BENZYLPHENYL ACETIC ACID2,3-diphenylpropanoicaci2,3-diphenylpropanoicacid2,3-DiphenylpropionicAcid>α-Phenylbenzenepropionic acid2,3-DIPHENYLPROPIONIC ACID 98+%(2S)-2,3-diphenylpropanoic acidBenzenepropanoic acid, α-phenyl-
Maybridge3_003394NSC49Oprea1_3946752,3-diphenyl-propanoic acidSCHEMBL67234NSC-49benzenepropanoic acid, alpha-phenyl-AKOS001584772
Database identifiers
- CAS
3333-15-1- PubChem CID
- 18744
- DTXSID
DTXSID801311088- EC Number
- 222-065-6
- Nikkaji
- J205.420E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 89 °C · 89°C
- Boiling point
- 340 °C · 340 °C
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.18 · 4.18±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C15H14O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,16,17)
- InChIKey
- PCRICPYPVZKEBZ-UHFFFAOYSA-N
- SMILES
- C(C1C=CC=CC=1)(C(=O)O)CC1C=CC=CC=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
9 records
Compound notes
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