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Molecule
Tris(2-Butoxyethyl) Phosphite
CAS: 2718-67-4 · C18H39O6P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2718-67-4
- Molecular Formula
- C18H39O6P
- Molecular Mass
- 382.48 g/mol
Identifiers
CAS Registry Number
2718-67-4
SMILES
CCCCOCCOP(OCCOCCCC)OCCOCCCC
InChI Key
URRFGQHFJDWCFM-UHFFFAOYSA-N
InChI
InChI=1S/C18H39O6P/c1-4-7-10-19-13-16-22-25(23-17-14-20-11-8-5-2)24-18-15-21-12-9-6-3/h4-18H2,1-3H3
Names and Synonyms
- Tris(2-Butoxyethyl) Phosphite Common Name
- Ethanol, 2-butoxy-, phosphite (3:1) Synonym
- Ethanol, 2-butoxy-, phosphite Synonym
- Tris(2-butoxyethyl) phosphite Synonym
- NSC 407906 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 382.48 g/mol | CAS Common Chemistry |
| 382.47800000000024 g/mol | RDKit | |
| 382.478 g/mol | RDKit | |
| Canonical SMILES | O(P(OCCOCCCC)OCCOCCCC)CCOCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H39O6P/c1-4-7-10-19-13-16-22-25(23-17-14-20-11-8-5-2)24-18-15-21-12-9-6-3/h4-18H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=URRFGQHFJDWCFM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tris(2-butoxyethyl) phosphite | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
| 55.38 Ų | RDKit | |
| LogP | 4.713200000000005 | RDKit |
| 4.7132 | RDKit | |
| Molar Refractivity | 101.9570000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 382.24842559800004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 382.48 g/mol. Edit any field — others recompute live.
