Trimethylolpropane phosphate
Basic information
- CAS
1005-93-2- Standard SMILES
CCC12COP(=O)(OC1)OC2- InChIKey
BYEFHDZWRALTEN-UHFFFAOYSA-N- Molecular formula
- C6H11O4P
- Average molar mass
- 178.12 g/mol
- Monoisotopic mass
- 178.03949583
Names & identifiers
- Preferred name
- Trimethylolpropane phosphate
- IUPAC
- 4-ethyl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
- English name
- ETBICYPHAT
- Molecular formula
- C6H11O4P
- Molecular weight
- 178.12
Names & synonyms
1005-93-2ETBICYPHATTRIMETHYLOLPROPANE PHOSPHATE2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-, 1-oxideNSC-728905ZYS7J5LT3DTXSID50582704-Ethyl-1-phospha-2,6,7 trioxabicyclo(2.2.2)octane-1-oxide2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-oxide4-ethyl-1-phospha-2,6,7-trioxabicyclo(2.2.2.)octane-1-oxideTMPP-oxideTMPP (phosphate)
Show more names
EtbicuphatTIMTEC-BB SBB008287trimethylopropanephosphatetrimethyolpropanephosphate1,1,1-TRIMETHYLOLPROPANE PHOSPHATE
RefChem:933450DTXCID7032000213-740-6Ethyl bicyclic phosphate4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxideTMP-PTrimethylopropane phosphateTrimethyolpropane phosphate
Database identifiers
- CAS
1005-93-2- PubChem CID
- 13869
- DTXSID
DTXSID5058270- UNII
- 5ZYS7J5LT3
- EC Number
- 213-740-6
- Nikkaji
- J53.874D、J774.904J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 207.5 °C · 207.5°C
- Boiling point
- 8 °C · 8°C
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- solid
- color
- Off-white to light yellow
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C6H11O4P/c1-2-6-3-8-11(7,9-4-6)10-5-6/h2-5H2,1H3
- InChIKey
- BYEFHDZWRALTEN-UHFFFAOYSA-N
- SMILES
- P12(=O)OCC(CC)(CO1)CO2
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
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
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesTrimethylolpropane Phosphate is a GABAa receptor antagonist known to cause convulsions, seizures and other neuromuscular related episodes. Used in the study of anti-epileptic drugs.
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Compound notes
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