[4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl]phenylmethanone
Basic information
- CAS
2549-90-8- Standard SMILES
CCCCC(CC)COc1ccc(C(=O)c2ccccc2)c(O)c1- InChIKey
SLXIKWJMGICOAO-UHFFFAOYSA-N- Molecular formula
- C21H26O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.18819469
Names & identifiers
- Preferred name
- [4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl]phenylmethanone
- IUPAC
- [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
- English name
- 4-(2-Ethylhexyloxy)-2-hydroxybenzophenone
- Molecular formula
- C21H26O3
- Molecular weight
- 326.43
Names & synonyms
2549-90-83UET5R68HVUVINUL-408BENZOPHENONE, 4-(2-ETHYLHEXYLOXY)-2-HYDROXY-[4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl]phenylmethanone(4-((2-Ethylhexyl)oxy)-2-hydroxyphenyl)phenylmethanone2-HYDROXY-4-((2-ETHYLHEXYL)OXY)BENZOPHENONEMETHANONE, (4-((2-ETHYLHEXYL)OXY)-2-HYDROXYPHENYL)PHENYL-RefChem:694354-(2-Ethylhexyloxy)-2-hydroxybenzophenoneMethanone,[4-[(2-ethylhexyl)oxy]-2-hydroxyphenyl]phenyl-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
Show more names
UV531LUV Absorber 531L4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanoneMethanone, [4-[(2-ethylhexyl)oxy]-2-hydroxyphenyl]phenyl-
(4-((2-ethylhexyl)oxy)-2-hydroxyphenyl)(phenyl)methanone[4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl](phenyl)methanoneBRN 1886814{4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl}(phenyl)methanoneUF-52-Hydroxy-4-(2'-ethylhexoxy)benzofenon [Czech]4-(2-Ethylhexyloxy)-2-hydroxybenzofenon [Czech]2-Hydroxy-4-(2'-ethylhexoxy)benzofenon
Database identifiers
- CAS
2549-90-8- PubChem CID
- 17353
- DTXSID
DTXSID50948382- UNII
- 3UET5R68HV
- Nikkaji
- J42.000J
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 424.46 °C · 424.46°C (rough estimate)
- Density
- 1.0544 · 1.0544 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 7.57 · 7.57±0.35(Predicted)
- InChI
- InChI=1S/C21H26O3/c1-3-5-9-16(4-2)15-24-18-12-13-19(20(22)14-18)21(23)17-10-7-6-8-11-17/h6-8,10-14,16,22H,3-5,9,15H2,1-2H3
- InChIKey
- SLXIKWJMGICOAO-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(OCC(CC)CCCC)C=C1O)(C1=CC=CC=C1)=O
- FDA UNII
- 3 UET5R68HV · 3UET5R68HV
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of 1-chloro-2-ethylhexane with resbenzophenone in the presence of barium hydroxide and arsenic tribromide in dimethyl sulfoxide at 80° for 3 h (93%).
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…