2-(4-Biphenylyloxy)propionic acid
Basic information
- CAS
5555-13-5- Standard SMILES
CC(Oc1ccc(-c2ccccc2)cc1)C(=O)O- InChIKey
FUPGQEMJIGUBGO-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Overview
2-(4-phenylphenoxy)propanoic acid is a member of biphenyls.
Names & identifiers
- Preferred name
- 2-(4-Biphenylyloxy)propionic acid
- IUPAC
- 2-(4-phenylphenoxy)propanoic acid
- English name
- alpha-(4-Biphenylyloxy)propionic acid
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
2-(4-biphenylyloxy)propionic acidRefChem:456826654-565-95555-13-52-(4-phenylphenoxy)propanoic acid2-([1,1'-biphenyl]-4-yloxy)propanoic acid2-(1,1'-biphenyl-4-yloxy)propanoic acidalpha-(4-Biphenylyloxy)propionic acidPropionic acid, 2-(4-biphenylyloxy)-MFCD000204062-(biphenyl-4-yloxy)propanoic acid2-{[1,1'-BIPHENYL]-4-YLOXY}PROPANOIC ACID
Show more names
BTS-84022-(Biphenyl-4yloxy)propionicacid2-(4-biphenylyloxy)propanoic acid2-(4-phenylphenoxy)propionic acidPropanoic acid, 2-([1,1'-biphenyl]-4-yloxy)-
2-(Biphenyl-4yloxy)propionic acidalpha-(4-Phenylphenoxy)propionic acidNSC 522948BRN 2332527NSC522948WLN: QVY1&OR DROprea1_532652Oprea1_830626
Database identifiers
- CAS
5555-13-5- PubChem CID
- 101181
- DTXSID
DTXSID101382094- ChEMBL
CHEMBL1338333- ChEBI
CHEBI:114350- EC Number
- 654-565-9
- Nikkaji
- J51.073D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 158 · 158-159 °C
- Boiling point
- 412.4 · 412.4±28.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- 3.21 · 3.21±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 400 · H400-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
- HazardClass
- IRRITANT
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 180 mg/kg CSLNX* NX#02798
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, P270, P273, P301+P316, P321, P330, 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
- Toxicity
- LD50 ivn-mus: 180 mg/kg CSLNX* NX#02798
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- hazard_class
- IRRITANT
- Hazard statements
- H400-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
Chemistry & industry
Additional notes
DefinitionChEBI: 2-(4-phenylphenoxy)propanoic acid is a member of biphenyls.
Suppliers
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Related reactions
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Compound notes
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