Basic information
- CAS
3538-36-1- Standard SMILES
CCCCCCOCCOP(=O)(O)OCCOCCCCCC- InChIKey
AUPWKFREAREWIL-UHFFFAOYSA-N- Molecular formula
- C16H35O6P
- Average molar mass
- 354.42 g/mol
- Monoisotopic mass
- 354.21712583
Names & identifiers
- Preferred name
- Ethanol, 2-(hexyloxy)-, 1,1'-(hydrogen phosphate)
- IUPAC
- bis(2-hexoxyethyl) hydrogen phosphate
- English name
- bis[2-(hexyloxy)ethyl] hydrogen phosphate
- Molecular formula
- C16H35O6P
- Molecular weight
- 354.419261
Names & synonyms
Ethanol, 2-(hexyloxy)-, hydrogen phosphate3538-36-1EINECS 222-578-5Ethanol, 2-(hexyloxy)-, 1,1'-(hydrogen phosphate)DTXSID6063066RefChem:138302DTXCID1039004bis[2-(hexyloxy)ethyl] hydrogen phosphateBis(2-(hexyloxy)ethyl) hydrogen phosphatebis(2-hexoxyethyl) hydrogen phosphateWN9UX62WREdi(hexoxyethyl)phosphoric acid
Show more names
Phosphoric acid bis[2-(hexyloxy)ethyl] esterPhosphoric acid hydrogen bis(2-hexyloxyethyl) esterPhosphoric acid hydrogen bis[2-(hexyloxy)ethyl] ester
SCHEMBL2521046AUPWKFREAREWIL-UHFFFAOYSA-NNS00029842
Database identifiers
- CAS
3538-36-1- PubChem CID
- 77078
- DTXSID
DTXSID6063066- UNII
- WN9UX62WRE
- EC Number
- 222-578-5
- Nikkaji
- J216.182F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
Chemical ClassesOrganophosphate
Physicochemical properties
- Boiling point
- 435.5 · 435.5±55.0 °C(Predicted)
- Density
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- pka
- 1.38 · 1.38±0.50(Predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2-(hexyloxy)-, hydrogen phosphate (3538-36-1)
- 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: Ethanol, 2-(hexyloxy)-, hydrogen phosphate
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 InformationEthanol, 2-(hexyloxy)-, 1,1'-(hydrogen phosphate): INACTIVE
Suppliers2 total
陕西缔都医药有限责任公司81148925 17391631969 · [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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