1-(4-Phenylphenoxy)propan-2-one
Basic information
- CAS
18859-38-6- Standard SMILES
CC(=O)COc1ccc(-c2ccccc2)cc1- InChIKey
TYMKZKHZVXYJPK-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 1-(4-Phenylphenoxy)propan-2-one
- IUPAC
- 1-(4-phenylphenoxy)propan-2-one
- English name
- AURORA 17222
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
18859-38-61-(biphenyl-4-yloxy)acetone1-(4-phenylphenoxy)propan-2-one1-([1,1'-Biphenyl]-4-yloxy)propan-2-one1-(4-phenylphenoxy)acetoneMFCD02969026NSC2119102-Propanone,1-([1,1'-biphenyl]-4-yloxy)-SCHEMBL7733929DTXSID00309409SBB015631AKOS000273070
Show more names
2-Propanone, 1-([1,1'-biphenyl]-4-yloxy)-AURORA 17222AKOS BBS-00008911CHEMBRDG-BB 6976862OTAVA-BB 7013070009OTAVA-BB BB70130700091-([1,1′-Biphenyl]-4-yloxy)acetone
NSC 211910NSC-211910BS-35837DB-201171CS-0357553ST501953321-[([1,1'-Biphenyl]-4-yl)oxy]propan-2-one
Database identifiers
- CAS
18859-38-6- PubChem CID
- 309602
- DTXSID
DTXSID00309409- Nikkaji
- J1.998.851A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 369 · 369.0±25.0 °C(Predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- Comptox DTXSID
- 309409 · DTXSID00309409
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- N
- Risk Statements
- 50 · 50
- Safety Statements
- 61 · 61
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
- risk_code
- 50
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- N
- safety_code
- 61
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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