Solketal
An alcohol, C6H12O3, 132.159 g/mol. Boiling point 188-189 °C, melting point -26.4 °C, as published.
Identifiers
- Molecular formula
- C₆H₁₂O₃
- Molecular weight
- 132.159 g/mol
- Exact mass
- 132.078644 g/mol
- IUPAC name
- (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
- CC1(C)OCC(CO)O1
- InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
- RNVYQYLELCKWAN-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 188-189 °C
- 75 °C @760 [mm Hg]
- Melting Point
- -26.4 °C
- Density
- Relative density (water = 1): 1.06
- 1.065 @25 °C
- Solubility
- Solubility in water: miscible
- Vapor Pressure
- 107.0 [mmHg]
- 70 [mm Hg] @20 °C
- Flash Point
- 80 °C c.c.
Calculated properties
- Molecular weight
- 132.16 g/mol
- Exact mass
- 132.078644241 Da
- XLogP3
- -0.2
- Polar surface area
- 38.7 Ų
- Complexity
- 100
- H-bond donors
- 1
- H-bond acceptors
- 3
- logP
- 0.1302
- Topological polar surface area
- 38.69 Ų
- H-bond donors
- 1
- H-bond acceptors
- 3
- Rotatable bonds
- 1
- Molar refractivity
- 31.9898 cm³/mol
- Fraction sp³ carbons
- 1
- QED drug-likeness
- 0.5508
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 9
- Total atoms, hydrogen included
- 21
- Rings
- 1
- Aromatic rings
- 0
- Stereocentres
- 1
- Formal charge
- 0
Functional groups
Alcohol
Ether
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is (2,2-dimethyl-1,3-dioxolan-4-yl)methanol.
The sources also call it 2,2-Dimethyl-1,3-dioxolane-4-methanol, Glycerolacetone, Glycerol dimethylketal, Dioxolan, Isopropylidene glycerol, Glycerol acetonide, 2,3-Isopropylideneglycerol, 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, Acetone monoglycerol ketal, Acetone glycerol, Glycerinisopropylidene ether.
Structurally related
Molecules sharing this formula, or whose fingerprint is at least 40% similar to this one. Similarity is Tanimoto on Morgan fingerprints over this library only — it is a measure of structural overlap, not of how alike they behave.
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Solketal. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl acetate
used as a reactant
C₈H₁₄O₄, 174.196 g/mol.
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-nitrophenyl carbonate
formed as a product
C₁₃H₁₅NO₇, 297.263 g/mol.
(3-Bromoprop-1-en-1-yl)(tributyl)stannane
used as a reactant
C₁₅H₃₁BrSn, 410.028 g/mol.
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl [(5,6-dichloro-9a-ethyl-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]acetate
formed as a product
C₂₃H₂₆Cl₂O₆, 469.361 g/mol.
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl methanesulfonate
formed as a product
C₇H₁₄O₅S, 210.251 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under S
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C6H12O3 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Solketal for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.