chempirical

Benzaldehyde dimethyl acetal

C9H12O2CAS 1125-88-8152.19 g/mol

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AcetalEther

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Density
1.0314 g/mL (at 20 °C)
Boiling point
117–119 °C (at 25 Torr)
logP
1.98Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
1125-88-8
SMILES
COC(OC)c1ccccc1
InChIKey
HEVMDQBCAHEHDY-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3

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Names and synonyms

8 names
  • Benzene, (dimethoxymethyl)-
  • Benzaldehyde, dimethyl acetal
  • (Dimethoxymethyl)benzene
  • α,α-Dimethoxytoluene
  • Dimethoxyphenylmethane
  • Phenyldimethoxymethane
  • α-Methoxybenzyl methyl ether
  • NSC 286137

Work with Benzaldehyde dimethyl 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

Anisaldehyde dimethyl acetal2186-92-756 % similar 4-Bromobenzaldehyde dimethyl acetal24856-58-456 % similar (Diethoxymethyl)benzene774-48-150 % similar (+)-Methoxyphenylacetic acid26164-26-145 % similar (±)-Benzoin methyl ether3524-62-745 % similar (-)-Methoxyphenylacetic acid3966-32-345 % similar Methoxyphenylacetic acid7021-09-245 % similar 4-Methyl-2-phenyl-1,3-dioxolane2568-25-445 % similar

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

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 4-Propoxyphenol18979-50-5 4-Propylresorcinol18979-60-7 4-Isopropylresorcinol23504-03-2

Elsewhere

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