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Dibutyl Phosphite
CAS: 1809-19-4 | C8H19O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1809-19-4
Molecular Formula:
C8H19O3P
Molecular Mass:
194.21 g/mol
Names and Synonyms:
Dibutyl Phosphite
Phosphonic acid, dibutyl ester
Butyl phosphite ((C4H9O)2(HO)P)
Butyl phosphonate ((BuO)2HPO)
Dibutyl phosphite
Dibutyl phosphonate
Di-n-butyl hydrogen phosphite
Phosphorous acid, dibutyl ester
Dibutyl hydrogen phosphite
Butyl alcohol, hydrogen phosphite
Dibutoxyphosphine oxide
Butyl phosphonate ((C4H9O)2HPO)
DBP 1
Di-n-butyl phosphite
NSC 2668
Duraphos DBHP
T 304
Identifiers:
SMILES:
CCCCO[PH](=O)OCCCC
InChI:
InChI=1S/C8H19O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h12H,3-8H2,1-2H3
Key Properties
Boiling Point
95 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
70.5 °C
CAS Common Chemistry
Density
0.99 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.21 g/mol | CAS Common Chemistry |
| 194.21099999999996 g/mol | RDKit | |
| 194.10718109799998 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9860 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 95 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OCCCC)OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H19O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h12H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NFJPGAKRJKLOJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70.5 °C | CAS Common Chemistry |
| Name | Dibutyl phosphite | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 3.009500000000002 | RDKit |
| Molar Refractivity | 50.72150000000004 | RDKit |
