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Molecule
Diisopropylphosphite
CAS: 1809-20-7 · C6H15O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1809-20-7
- Molecular Formula
- C6H15O3P
- Molecular Mass
- 166.16 g/mol
Identifiers
CAS Registry Number
1809-20-7
SMILES
CC(C)O[PH](=O)OC(C)C
InChI Key
BLKXLEPPVDUHBY-UHFFFAOYSA-N
InChI
InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
Names and Synonyms
- Diisopropylphosphite Synonym
- Phosphonic acid, bis(1-methylethyl) ester Synonym
- Phosphonic acid, diisopropyl ester Synonym
- Isopropyl phosphonate ((C3H7O)2HPO) Synonym
- Diisopropyl phosphite Synonym
- Diisopropyl phosphonate Synonym
- Diisopropyl hydrogen phosphite Synonym
- O,O-Diisopropyl phosphonate Synonym
- Isopropyl phosphite ((C3H7O)2(HO)P) Synonym
- Bis(2-propyl) phosphite Synonym
- Diisopropoxyphosphine oxide Synonym
- NSC 82344 Synonym
- T 451 Synonym
- T 451 (antiwear additive) Synonym
- 2-Propan-2-yloxyphosphonoyloxypropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.16 g/mol | CAS Common Chemistry |
| 166.15699999999998 g/mol | RDKit | |
| 166.157 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.020 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diisopropylphosphite | CAS Common Chemistry |
| Canonical SMILES | O=P(OC(C)C)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BLKXLEPPVDUHBY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diisopropyl phosphite | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 2.2260999999999997 | RDKit |
| 2.2261 | RDKit | |
| 2.14 | chempirical lib | |
| Molar Refractivity | 41.443500000000014 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 166.07588097 g/mol | RDKit |
| Boiling Point | 97 °C @ 40 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 166.16 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15O3P.
