Triethanolamine octylphosphate
Basic information
- CAS
30342-63-3- Standard SMILES
CCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO- InChIKey
QEWABYCCMMQIHS-UHFFFAOYSA-N- Molecular formula
- C14H34NO7P
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.20728942
Names & identifiers
- Preferred name
- Triethanolamine octylphosphate
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;octyl dihydrogen phosphate
- English name
- octyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
- Molecular formula
- C14H34NO7P
- Molecular weight
- 359.396021
Names & synonyms
30342-63-3Triethanolamine octylphosphateU8LMQ4Z428DTXSID1067546EINECS 250-136-1OCTYL PHOSPHATE TRIETHANOLAMINE SALT2,2',2''-NITRILOTRIETHANOL OCTYL PHOSPHATERefChem:899446DTXCID5038179UNII-U8LMQ4Z428SCHEMBL10437955QEWABYCCMMQIHS-UHFFFAOYSA-N
Show more names
Octyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)NS00084529Octyl dihydrogen phosphate--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
30342-63-3- PubChem CID
- 169147
- DTXSID
DTXSID1067546- UNII
- U8LMQ4Z428
- EC Number
- 250-136-1
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- FDA UNII
- 8 LMQ4Z428 · U8LMQ4Z428
- EPA Substance Registry System
- 2 · Phosphoric acid, monooctyl ester, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) (30342-63-3)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphoric acid, monooctyl ester, compd. with 2,2',2''-nitrilotris[ethanol] (1:1): ACTIVE
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Compound notes
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