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Molecule
1-[2-(2-Methoxy-1-Methylethoxy)-1-Methylethoxy]-2-Propanol
CAS: 20324-33-8 · C10H22O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20324-33-8
- Molecular Formula
- C10H22O4
- Molecular Mass
- 206.28 g/mol
Identifiers
CAS Registry Number
20324-33-8
SMILES
COCC(C)OCC(C)OCC(C)O
InChI Key
HPFDGTFXAVIVTH-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3
Names and Synonyms
- 1-[2-(2-Methoxy-1-Methylethoxy)-1-Methylethoxy]-2-Propanol Synonym
- 2-Propanol, 1-[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]- Synonym
- 1-[2-(2-Methoxy-1-methylethoxy)-1-methylethoxy]-2-propanol Synonym
- Dowanol 62B Synonym
- 2-[2-(2-Methoxy-1-methylethoxy)-1-methylethoxy]-1-methylethanol Synonym
- 1-[1-(1-Methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol Synonym
- 1-((1-((1-Methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol Synonym
- Celtol TPM Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.28 g/mol | CAS Common Chemistry |
| 206.28199999999998 g/mol | RDKit | |
| 206.282 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0192 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 250 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)COC(C)COC(C)COC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HPFDGTFXAVIVTH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | 1-[2-(2-Methoxy-1-methylethoxy)-1-methylethoxy]-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.92 Ų | RDKit |
| LogP | 0.8238000000000001 | RDKit |
| 0.8238 | RDKit | |
| Molar Refractivity | 54.38480000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 206.151809184 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 206.28 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22O4.
