4-Butoxy-benzoic acid biphenyl-4-yl ester
Basic information
- CAS
55673-03-5- Standard SMILES
CCCCOc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1- InChIKey
VJSYOVZRKMTCIQ-UHFFFAOYSA-N- Molecular formula
- C23H22O3
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.15689456
Names & identifiers
- Preferred name
- 4-Butoxy-benzoic acid biphenyl-4-yl ester
- IUPAC
- (4-phenylphenyl) 4-butoxybenzoate
- English name
- 4-Butoxy-benzoic acid biphenyl-4-yl ester
- Molecular formula
- C23H22O3
- Molecular weight
- 346.42
Names & synonyms
4-BUTOXY-BENZOIC ACID BIPHENYL-4-YL ESTERRefChem:52060255673-03-5685-944-7AKOS003506202Benzoic acid, 4-butoxy-, [1,1'-biphenyl]-4-yl ester
Database identifiers
- CAS
55673-03-5- PubChem CID
- 4647405
- EC Number
- 685-944-7
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Boiling point
- 504.4 · 504.4±43.0 °C(Predicted)
- Density
- 1.111 · 1.111±0.06 g/cm3(Predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
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Compound notes
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