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Molecule
Solketal
CAS: 100-79-8 · C6H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 100-79-8
- Molecular Formula
- C6H12O3
- Molecular Mass
- 132.16 g/mol
Identifiers
CAS Registry Number
100-79-8
SMILES
CC1(C)OCC(CO)O1
InChI Key
RNVYQYLELCKWAN-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
Names and Synonyms
- Solketal Common Name
- 1,3-Dioxolane-4-methanol, 2,2-dimethyl- Synonym
- 2,2-Dimethyl-1,3-dioxolane-4-methanol Synonym
- 2,2-Dimethyl-5-hydroxymethyl-1,3-dioxolane Synonym
- 2-Dimethyl-4-oxymethyl-1,3-dioxolane Synonym
- GIE Synonym
- Glycerolacetone Synonym
- Glycerol dimethylketal Synonym
- Isopropylidene glycerol Synonym
- Solketal Synonym
- 2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane Synonym
- Glycerol acetonide Synonym
- α,β-Isopropylideneglycerol Synonym
- 2,3-Isopropylideneglycerol Synonym
- 2,3-O-Isopropylideneglycerol Synonym
- 1,2-O-Isopropylideneglycerol Synonym
- 2,2-Dimethyl-4-hydroxymethyldioxolane Synonym
- 2,3-(Isopropylidenedioxy)propanol Synonym
- 2,2-Dimethyl-1,3-dioxolan-4-methanol Synonym
- 1,2-Isopropylideneglycerin Synonym
- 1,2-O,O-Isopropylideneglycerin Synonym
- Glycerin isopropylidene ether Synonym
- Acetone monoglycerol ketal Synonym
- 2,2-Dimethyl-1,3-dioxolan-4-ylmethanol Synonym
- Glycerol α,β-isopropylidene ether Synonym
- 2,2-Dimethyl-1,3-dioxolane-5-methanol Synonym
- Acetone glycerin ketal Synonym
- 1,2-Isopropylideneglycerol Synonym
- DL-Isopropylideneglycerol Synonym
- (±)-Glycerol 1,2-acetonide Synonym
- (±)-2,2-Dimethyl-1,3-dioxolane-4-methanol Synonym
- (4RS)-2,2-Dimethyl-1,3-dioxolane-4-methanol Synonym
- (RS)-Solketal Synonym
- (±)-1,2-O-Isopropylideneglycerol Synonym
- Racemic solketal Synonym
- NSC 59720 Synonym
- Acetone glyceryl acetal Synonym
- Glycerin acetone ketal Synonym
- 2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolan Synonym
- 4-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolane Synonym
- 1,2-O-Isopropylidene-rac-glycerol Synonym
- Augeo SL 191 Synonym
- Isopropylideneglycerin Synonym
- (2,2-Dimethyl-[1,3]-dioxolan-4-yl)methanol Synonym
- Augeo 191 Synonym
- 2,2-Dimethyldioxolane-4-methanol Synonym
- Augeo Clean Multi Synonym
- Solketol Synonym
- DL-1,2-Isopropylideneglycerol Synonym
- DL-1,2-Isopropylidene glycerol Synonym
- Augeo MC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.16 g/mol | CAS Common Chemistry |
| 132.159 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.06 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Solketal | CAS Common Chemistry |
| Boiling Point | 188 °C | CAS Common Chemistry |
| Canonical SMILES | OCC1OC(OC1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RNVYQYLELCKWAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -26.4 °C | CAS Common Chemistry |
| Name | Solketal | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 0.13020000000000004 | RDKit |
| 0.1302 | RDKit | |
| Molar Refractivity | 31.98979999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 132.078644244 g/mol | RDKit |
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
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MW = 132.16 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O3.
