Basic information
- CAS
919-62-0- Standard SMILES
CC(C)CCOP(=O)(OCCC(C)C)OCCC(C)C- InChIKey
YQLIHRFKJJQBAF-UHFFFAOYSA-N- Molecular formula
- C15H33O4P
- Average molar mass
- 308.39 g/mol
- Monoisotopic mass
- 308.21164653
Names & identifiers
- Preferred name
- 1-Butanol, 3-methyl-, 1,1',1''-phosphate
- IUPAC
- tris(3-methylbutyl) phosphate
- English name
- 1-Butanol,3-methyl-,phosphate
- Molecular formula
- C15H33O4P
- Molecular weight
- 308.39
Names & synonyms
Phosphoric acid, triisoamyl ester1-Butanol, 3-methyl-, phosphate (3:1)1-Butanol, 3-methyl-, 1,1',1''-phosphateRefChem:430875919-62-0tris(3-methylbutyl) phosphatetriisoamyl phosphateSCHEMBL1200178DTXSID60919462phosphoric acid triisopentyl esterYQLIHRFKJJQBAF-UHFFFAOYSA-NTIAP
Show more names
TriisopentylphosphatTriisopentylphosphate1-Butanol,3-methyl-,phosphatetri(3-methyl-1-butyl) phosphatePhosphoric acid triisoamyl esterPhosphoric acid tris(3-methylbutyl) ester
Database identifiers
- CAS
919-62-0- PubChem CID
- 70196
- DTXSID
DTXSID60919462- Nikkaji
- J421.543E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 297.7 · 297.7±8.0 °C(Predicted)
- Density
- 0.962 · 0.962±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C15H33O4P/c1-13(2)7-10-17-20(16,18-11-8-14(3)4)19-12-9-15(5)6/h13-15H,7-12H2,1-6H3
- InChIKey
- YQLIHRFKJJQBAF-UHFFFAOYSA-N
- SMILES
- P(OCCC(C)C)(OCCC(C)C)(OCCC(C)C)=O
- EPA Substance Registry System
- 1 · 1-Butanol, 3-methyl-, phosphate (3:1) (919-62-0)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanol, 3-methyl-, 1,1',1''-phosphate: INACTIVE
Applications
UsesTriisoamyl phosphate (TiAP) is considered an excellent extractant for the extraction and separation of actinide elements due to its superior physicochemical properties, and is particularly suitable for systems with high irradiation doses and systems with high relative plutonium concentrations.
Preparation methods
PreparationThe esterification method using phosphorus oxychloride as raw material involves reacting a fatty alcohol of two or more groups with phosphorus oxychloride at a temperature below 20°C for at least 24 hours, and then obtaining trialkyl phosphate by vacuum distillation. Among them, the product obtained by reacting phosphorus oxychloride and isoamyl alcohol at a temperature of around 10°C for 45 hours is 1-BUTANOL,3-METHYL-,PHOSPHATE.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers13 total
广东百科试剂有限公司13532366769 13686183698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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