4-(2-Phenylethoxy)benzoic acid
Basic information
- CAS
30762-06-2- Standard SMILES
O=C(O)c1ccc(OCCc2ccccc2)cc1- InChIKey
FRQLEOHJRISXFC-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 4-(2-Phenylethoxy)benzoic acid
- IUPAC
- 4-(2-phenylethoxy)benzoic acid
- English name
- 4-(2-phenylethoxy)benzoic acid
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
4-(2-phenylethoxy)benzoic acidDTXSID10300700RefChem:512734DTXCID20251835871-684-330762-06-24-Phenethoxybenzoic acidbenzoic acid, 4-(2-phenylethoxy)-4-(2-Phenylethoxy)-benzoic acidMFCD06662497SCHEMBL4327125ALBB-009116
Show more names
4-(2-phenylethoxy)benzoic acid(SALTDATA: FREE)tert-butyl4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-3-carboxylate
NSC138401SBB049750STK501100AKOS000264105DS-5256NSC-138401ST088287CS-0188284
Database identifiers
- CAS
30762-06-2- PubChem CID
- 283540
- DTXSID
DTXSID10300700- EC Number
- 871-684-3
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 423.7 · 423.7±28.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.45 · 4.45±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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