Basic information
- CAS
13681-75-9- Standard SMILES
CCCCCCCCOc1ccc(-c2nc(-c3ccc(OCCCCCCCC)cc3O)nc(-c3ccc(OCCCCCCCC)cc3O)n2)c(O)c1- InChIKey
WPMUMRCRKFBYIH-UHFFFAOYSA-N- Molecular formula
- C45H63N3O6
- Average molar mass
- 742 g/mol
- Monoisotopic mass
- 741.47168674
Names & identifiers
- Preferred name
- Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-
- IUPAC
- 2-[4,6-bis(2-hydroxy-4-octoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
- English name
- 2,2',2''-(1,3,5-Triazine-2,4,6-triyl)tris[5-(octyloxy)phenol]
- Molecular formula
- C45H63N3O6
- Molecular weight
- 742
Names & synonyms
Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-DTXSID80655832,2',2''-s-Triazine-2,4,6-triyltris(5-(octyloxy)phenol)Phenol, 2,2',2''-s-triazine-2,4,6-triyltris(5-octyloxy)-Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris(5-(octyloxy)-RefChem:860655DTXCID203438413681-75-9SCHEMBL77484SCHEMBL293645262,4,6-tris(2-hydroxy-4-octyloxyphenyl)-1,3,5-triazine2,2',2''-(1,3,5-Triazine-2,4,6-triyl)tris[5-(octyloxy)phenol]
Show more names
2,2',2''-(1,3,5-Triazine-2,4,6-triyl)tris[5-(octyloxy)phenol
Database identifiers
- CAS
13681-75-9- PubChem CID
- 83657
- DTXSID
DTXSID8065583
Properties
Computed structural properties
- XLogP
- 14.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 27
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 806
Physicochemical properties
- Melting point
- 145 · 145-147 °C
- Boiling point
- 867.3 · 867.3±75.0 °C(Predicted)
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- pka
- 7.9 · 7.90±0.40(Predicted)
- EPA Substance Registry System
- 2 · Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)- (13681-75-9)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyl)tris[5-(octyloxy)-: INACTIVE
Suppliers1 total
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Related reactions
1 records
Compound notes
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