Benzaldehyde dimethyl acetal

C₉H₁₂O₂CAS 1125-88-8152.19 g/mol

Open in Covalent MOL file

Acetal Ether

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed99.7% of notifiers
H315 Causes skin irritation20.9% of notifiers
H319 Causes serious eye irritation13.8% of notifiers
H335 May cause respiratory irritation13.4% of notifiers

Aggregated from 320 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 Methyl benzoin3524-62-745 % similar (R)-(-)-Alpha-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 Bicyclo[3.3.1]nonane-2,6-dione16473-11-3 (R)-(-)-2-Methoxy-2-phenylethanol17628-72-7 4-Propoxyphenol18979-50-5

Elsewhere

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