Basic information
- CAS
3135-18-0- Standard SMILES
CCCCCCCCCCCCCCCCCCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCCCCCCCCCCCCCCCCCC- InChIKey
SAJFQHPVIYPPEY-UHFFFAOYSA-N- Molecular formula
- C51H97O4P
- Average molar mass
- 805.3 g/mol
- Monoisotopic mass
- 804.71244857
Names & identifiers
- Preferred name
- Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl ester
- IUPAC
- 2,6-ditert-butyl-4-(dioctadecoxyphosphorylmethyl)phenol
- English name
- dioctadecyl [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate
- Molecular formula
- C51H97O4P
- Molecular weight
- 805.29
Names & synonyms
EINECS 221-532-1Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl esterDTXSID4062858Phosphonic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, dioctadecyl esterPhosphonic acid, P-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, dioctadecyl esterPhosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl esterRefChem:862197DTXCID50383393135-18-0Dioctadecyl [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonateDioctadecyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonateSCHEMBL39022
Show more names
Distearyl-3,5-ditertbutyl-4-hydroxybenzyl phosphate2,6-ditert-butyl-4-(dioctadecoxyphosphorylMethyl)phenolDi(n-Octadecyl)-3,5-ditertbutyl-4-hydroxybenzyl phosphateDI-N-OCTADECYL-3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONATESO,O,DI-N-OCTADECYL-3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONATE3,5-di-tert-butyl-4-hydroxybenzylphosphonic acid, dioctadecyl ester
Properties
Computed structural properties
- XLogP
- 21.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 40
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 841
Physicochemical properties
- Melting point
- 55 · 55-57 °C
- Boiling point
- 769.1 · 769.1±48.0 °C(Predicted)
- Density
- 0.927 · 0.927±0.06 g/cm3(Predicted)
- pka
- 11.94 · 11.94±0.40(Predicted)
- EPA Substance Registry System
- 3 · Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl ester (3135-18-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers1 total
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
1 records
Compound notes
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