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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
Names and Synonyms:
1-(1-Butoxy-2-Propoxy)-2-Propanol
2-Propanol, 1-(2-butoxy-1-methylethoxy)-
1-(2-Butoxy-1-methylethoxy)-2-propanol
1-(1-Butoxy-2-propoxy)-2-propanol
Solvenon DPnB
1-((1-Butoxypropan-2-yl)oxy)propan-2-ol
Celtol DPNB
Identifiers:
SMILES:
CCCCOCC(C)OCC(C)O
InChI:
InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
Key Properties
Boiling Point
103 °C @ Press: 10 Torr
CAS Common Chemistry
Density
0.92 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 | 190.28 g/mol | CAS Common Chemistry |
| 190.283 g/mol | RDKit | |
| 190.156894564 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9185 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 103 °C @ Press: 10 Torr | 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 | RDKit |
