Phosphonic acid, P-(2-hydroxyhexadecyl)-, dibutyl ester
Basic information
- CAS
68992-15-4- Standard SMILES
CCCCCCCCCCCCCCC(O)CP(=O)(OCCCC)OCCCC- InChIKey
WKAMPYICUVBLIA-UHFFFAOYSA-N- Molecular formula
- C24H51O4P
- Average molar mass
- 434.6 g/mol
- Monoisotopic mass
- 434.3524971
Names & identifiers
- Preferred name
- Phosphonic acid, P-(2-hydroxyhexadecyl)-, dibutyl ester
- IUPAC
- 1-dibutoxyphosphorylhexadecan-2-ol
- English name
- dibutyl (2-hydroxyhexadecyl)phosphonate
- Molecular formula
- C24H51O4P
- Molecular weight
- 434.633101
Names & synonyms
EINECS 273-671-2Phosphonic acid, (2-hydroxyhexadecyl)-, dibutyl esterPhosphonic acid, P-(2-hydroxyhexadecyl)-, dibutyl esterDTXSID60867797RefChem:862203DTXCID60815955Dibutyl (2-hydroxyhexadecyl)phosphonate68992-15-4WKAMPYICUVBLIA-UHFFFAOYSA-NNS00062110(2-Hydroxyhexadecyl)phosphonic acid dibutyl ester
Database identifiers
- CAS
68992-15-4- PubChem CID
- 112137
- DTXSID
DTXSID60867797- EC Number
- 273-671-2
- Nikkaji
- J332.785J
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 23
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- EPA Substance Registry System
- Phosphonic acid, (2-hydroxyhexadecyl)-, dibutyl ester (68992-15-4)
- 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, (2-hydroxyhexadecyl)-, dibutyl 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-(2-hydroxyhexadecyl)-, dibutyl ester: INACTIVE
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Related reactions
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Compound notes
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