Paraldehyde

C₆H₁₂O₃CAS 123-63-7132.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
Density: 0.9923 g/mL (at 20 °C)
Melting point: 12.6 °C
Boiling point: 124.5 °C
logP: 1.09Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

123-63-7

SMILES

CC1OC(C)OC(C)O1

InChIKey

SQYNKIJPMDEDEG-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all

1,3,5-Trioxane, 2,4,6-trimethyl-
s-Trioxane, 2,4,6-trimethyl-
2,4,6-Trimethyl-1,3,5-trioxane
Paraacetaldehyde
Paracetaldehyde
PCHO
s-Trimethyltrioxymethylene
2,4,6-Trimethyl-s-trioxane
1,3,5-Trimethyl-2,4,6-trioxane
Elaldehyde
Paral
2,4,6-Trimethyl-1,3,5-trioxacyclohexane
Acetaldehyde, trimer
NSC 9799

Work with Paraldehyde

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

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 L-Leucic acid13748-90-8 Methyl 3-hydroxy-2,2-dimethylpropanoate14002-80-3

Elsewhere

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