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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
Names and Synonyms:
Solketal
1,3-Dioxolane-4-methanol, 2,2-dimethyl-
2,2-Dimethyl-1,3-dioxolane-4-methanol
2,2-Dimethyl-5-hydroxymethyl-1,3-dioxolane
2-Dimethyl-4-oxymethyl-1,3-dioxolane
GIE
Glycerolacetone
Glycerol dimethylketal
Isopropylidene glycerol
Solketal
2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane
Glycerol acetonide
α,β-Isopropylideneglycerol
2,3-Isopropylideneglycerol
2,3-O-Isopropylideneglycerol
1,2-O-Isopropylideneglycerol
2,2-Dimethyl-4-hydroxymethyldioxolane
2,3-(Isopropylidenedioxy)propanol
2,2-Dimethyl-1,3-dioxolan-4-methanol
1,2-Isopropylideneglycerin
1,2-O,O-Isopropylideneglycerin
Glycerin isopropylidene ether
Acetone monoglycerol ketal
2,2-Dimethyl-1,3-dioxolan-4-ylmethanol
Glycerol α,β-isopropylidene ether
2,2-Dimethyl-1,3-dioxolane-5-methanol
Acetone glycerin ketal
1,2-Isopropylideneglycerol
DL-Isopropylideneglycerol
(±)-Glycerol 1,2-acetonide
(±)-2,2-Dimethyl-1,3-dioxolane-4-methanol
(4RS)-2,2-Dimethyl-1,3-dioxolane-4-methanol
(RS)-Solketal
(±)-1,2-O-Isopropylideneglycerol
Racemic solketal
NSC 59720
Acetone glyceryl acetal
Glycerin acetone ketal
2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolan
4-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolane
1,2-O-Isopropylidene-rac-glycerol
Augeo SL 191
Isopropylideneglycerin
(2,2-Dimethyl-[1,3]-dioxolan-4-yl)methanol
Augeo 191
2,2-Dimethyldioxolane-4-methanol
Augeo Clean Multi
Solketol
DL-1,2-Isopropylideneglycerol
DL-1,2-Isopropylidene glycerol
Augeo MC
Identifiers:
SMILES:
CC1(C)OCC(CO)O1
InChI:
InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
Key Properties
Boiling Point
188 °C
CAS Common Chemistry
Melting Point
-26.4 °C
CAS Common Chemistry
Density
1.06 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 | 132.16 g/mol | CAS Common Chemistry |
| 132.159 g/mol | RDKit | |
| 132.078644244 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 |
| Molar Refractivity | 31.98979999999998 | RDKit |
