Citral diethyl acetal

C₁₄H₂₆O₂CAS 7492-66-2226.36 g/mol

Open in Covalent MOL file

Acetal Alkene Ether

Properties

Molecular formula: C₁₄H₂₆O₂
Molar mass: 226.36 g/mol
Exact mass: 226.1933 Da
Density: 0.873 g/mL (at 20 °C)
Boiling point: 117–118 °C (at 10 Torr)
logP: 4.08Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7492-66-2

SMILES

CCOC(C=C(C)CCC=C(C)C)OCC

InChIKey

NTXGFKWLJFHGGJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3

Weigh it out

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

Names and synonyms

5 names

2,6-Octadiene, 1,1-diethoxy-3,7-dimethyl-
2,6-Octadienal, 3,7-dimethyl-, diethyl acetal
1,1-Diethoxy-3,7-dimethyl-2,6-octadiene
1,1-Diethoxy-3,7-dimethylocta-2,6-diene
Citrathal R

Work with Citral diethyl acetal

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Citral dimethyl acetal7549-37-365 % similar Geranyl ethyl ether40267-72-957 % similar Squalene111-02-450 % similar Squalene7683-64-950 % similar Geraniol106-24-144 % similar Nerol106-25-244 % similar Thiogeraniol39067-80-644 % similar Geranyl chloride5389-87-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4,7,9-Tetramethyl-5-decyne-4,7-diol126-86-3 Citronellyl butyrate141-16-2 (Z)-7-Dodecenyl acetate14959-86-5 Vinyl laurate2146-71-6 δ-Tetradecalactone2721-22-4 (Z)-8-Dodecenyl acetate28079-04-1

Elsewhere

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