Basic information
- CAS
58085-73-7- Standard SMILES
CCCCCCCCCc1ccc(O)c(C(=O)c2ccccc2)c1- InChIKey
BHBZCWUKTDYMJM-UHFFFAOYSA-N- Molecular formula
- C22H28O2
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.20893014
Names & identifiers
- Preferred name
- Methanone, (2-hydroxy-5-nonylphenyl)phenyl-
- IUPAC
- (2-hydroxy-5-nonylphenyl)-phenylmethanone
- English name
- 2-hydroxy-5-nonylbenzophenone
- Molecular formula
- C22H28O2
- Molecular weight
- 324.46
Names & synonyms
Methanone, (2-hydroxy-5-nonylphenyl)phenyl-5-Nonyl-2-hydroxybenzophenone58085-73-7EINECS 261-105-7DTXSID3069225RefChem:811640DTXCID10423122-Hydroxy-5-nonylbenzophenone(2-hydroxy-5-nonylphenyl)-phenylmethanone2-hydroxy-5-nonyl benzophenone2-hydroxy-5-nonyl-benzophenoneSCHEMBL1979931
Show more names
2-Hydroxy-5-nonylphenyl(phenyl) ketone
(2-Hydroxy-5-nonylphenyl)(phenyl)methanoneDB-323996NS00033858
Database identifiers
- CAS
58085-73-7- PubChem CID
- 93939
- DTXSID
DTXSID3069225- EC Number
- 261-105-7
- Nikkaji
- J296.866E
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 346
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- Methanone, (2-hydroxy-5-nonylphenyl)phenyl- (58085-73-7)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, (2-hydroxy-5-nonylphenyl)phenyl-: INACTIVE
Preparation methods
PreparationPreparation by Fries rearrangement of p-nonylphenyl benzoate with aluminium chloride, without solvent at 140–145° for 30–50 min (52%).
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
9 records
Compound notes
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