Back to Search
Molecule
1-(1-Butoxy-2-Propoxy)-2-Propanol
CAS: 29911-28-2 · C10H22O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 29911-28-2
- Molecular Formula
- C10H22O3
- Molecular Mass
- 190.28 g/mol
Identifiers
CAS Registry Number
29911-28-2
SMILES
CCCCOCC(C)OCC(C)O
InChI Key
CUVLMZNMSPJDON-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
Names and Synonyms
- 1-(1-Butoxy-2-Propoxy)-2-Propanol Synonym
- 2-Propanol, 1-(2-butoxy-1-methylethoxy)- Synonym
- 1-(2-Butoxy-1-methylethoxy)-2-propanol Synonym
- 1-(1-Butoxy-2-propoxy)-2-propanol Synonym
- Solvenon DPnB Synonym
- 1-((1-Butoxypropan-2-yl)oxy)propan-2-ol Synonym
- Celtol DPNB Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.28 g/mol | CAS Common Chemistry |
| 190.283 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9185 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OC(C)COC(C)COCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CUVLMZNMSPJDON-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(1-Butoxy-2-propoxy)-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 1.589 | RDKit |
| Molar Refractivity | 52.821800000000046 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 190.156894564 g/mol | RDKit |
| Boiling Point | 103 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 190.28 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22O3.
