Solketal
Properties
- Molecular formula
- C6H12O3
- Molar mass
- 132.16 g/mol
- Exact mass
- 132.0786 Da
- Density
- 1.06 g/mL
- Melting point
- −26.4 °C
- Boiling point
- 188 °C
- Flash point
- 80 °C (closed cup)
- Water solubility
- miscible
- logP
- 0.13Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation14.7% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H411 Toxic to aquatic life with long lasting effects14.7% of notifiers
Aggregated from 353 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, P501
Identifiers
CAS number
100-79-8SMILES
CC1(C)OCC(CO)O1InChIKey
RNVYQYLELCKWAN-UHFFFAOYSA-NInChI
InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
49 names · show all
- 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
- 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
Reactions
Work with Solketal
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane32233-43-563 % similar
4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane5754-34-763 % similar
(2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-558 % similar
4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane4362-40-756 % similar
(R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane57044-24-356 % similar
(4S)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane60456-22-656 % similar
(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol50622-09-850 % similar
(4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol73346-74-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.