Basic information
- CAS
1758-45-8- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(OP(=O)(O)Oc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1- InChIKey
CJMDDRXHXPXLMJ-UHFFFAOYSA-N- Molecular formula
- C28H43O4P
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.28989685
Names & identifiers
- Preferred name
- Bis[P-(1,1,3,3-tetramethylbutyl)phenyl] hydrogen phosphate
- IUPAC
- bis[4-(2,4,4-trimethylpentan-2-yl)phenyl] hydrogen phosphate
- English name
- bis[p-(1,1,3,3-tetramethylbutyl)phenyl] hydrogen phosphate
- Molecular formula
- C28H43O4P
- Molecular weight
- 474.612381
Names & synonyms
1758-45-8BIS[P-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL] HYDROGEN PHOSPHATEbis[4-(2,4,4-trimethylpentan-2-yl)phenyl] hydrogen phosphateBis(p-(1,1,3,3-tetramethylbutyl)phenyl) hydrogen phosphateEINECS 217-152-0CJMDDRXHXPXLMJ-UHFFFAOYSA-NSCHEMBL6372311DTXSID70170027NS00025770Phosphoric acid bis(4-tert-octylphenyl) esterPhosphoric acid bis[4-(1,1,3,3-tetramethylbutyl)phenyl] esterPhenol, 4-(1,1,3,3-tetramethylbutyl)-, 1,1'-(hydrogen phosphate)
Database identifiers
- CAS
1758-45-8- PubChem CID
- 74470
- DTXSID
DTXSID70170027- EC Number
- 217-152-0
- Nikkaji
- J203.162K
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- Boiling point
- 538.7 · 538.7±53.0 °C(Predicted)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- pka
- 1.23 · 1.23±0.50(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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