Basic information
- CAS
52736-14-8- Standard SMILES
CCc1cccc(OP(=O)(Oc2cccc(CC)c2)Oc2cccc(CC)c2)c1- InChIKey
QZWWNNQRBSJVLL-UHFFFAOYSA-N- Molecular formula
- C24H27O4P
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.16469634
Names & identifiers
- Preferred name
- Phenol, 3-ethyl-, phosphate (3:1)
- IUPAC
- tris(3-ethylphenyl) phosphate
- English name
- tris(3-ethylphenyl) phosphate
- Molecular formula
- C24H27O4P
- Molecular weight
- 410.44
Names & synonyms
52736-14-8Phenol, 3-ethyl-, phosphate (3:1)RefChem:1094893258-144-7Tris(3-ethylphenyl) phosphateTris(3-ethylphenyl)phosphateTris(m-ethylphenyl)phosphate3-Ethylphenol phosphate (3:1)EINECS 258-144-7Phenol, m-ethyl-, phosphateSCHEMBL3817643SCHEMBL29790833
Show more names
Phenol, m-ethyl-, phosphate (6ci)Phenol, 3-ethyl-, phosphate (3:1) (9CI)Phosphoric acid tris(3-ethylphenyl) ester
DTXSID00200720QZWWNNQRBSJVLL-UHFFFAOYSA-NNS00058773
Database identifiers
- CAS
52736-14-8- PubChem CID
- 104306
- DTXSID
DTXSID00200720- EC Number
- 258-144-7
- Nikkaji
- J295.780I
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 454
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 476.9 · 476.9±44.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
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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