Phenylacetaldehyde dimethyl acetal
Properties
- Molecular formula
- C10H14O2
- Molar mass
- 166.22 g/mol
- Exact mass
- 166.0994 Da
- Density
- 1.005 g/mL (at 25 °C)
- Boiling point
- 219–221 °C
- logP
- 1.85Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H319 Causes serious eye irritation92.9% of notifiers
Aggregated from 1,706 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P337+P317
Identifiers
CAS number
101-48-4SMILES
COC(Cc1ccccc1)OCInChIKey
WNJSKZBEWNVKGU-UHFFFAOYSA-NInChI
InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzene, (2,2-dimethoxyethyl)-
- Acetaldehyde, phenyl-, dimethyl acetal
- (2,2-Dimethoxyethyl)benzene
- α-Tolylaldehyde dimethyl acetal
- Hyscylene P
- 1,1-Dimethoxy-2-phenylethane
- 2,2-Dimethoxy-1-phenylethane
- 2-Phenylacetaldehyde dimethyl acetal
- NSC 5174
- Phenyl acetaldehyde dimethyl acetal
Work with Phenylacetaldehyde 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Isobutylbenzene538-93-250 % similar
(2-Methoxyethyl)benzene3558-60-948 % similar
Phenylalanine methyl ester2577-90-446 % similar
1-Phenyl-2-propanol14898-87-445 % similar
(S)-1-Phenyl-2-propanol1517-68-645 % similar
(R)-1-Phenyl-2-propanol1572-95-845 % similar
2-Bromo-1-phenylpropane2114-39-845 % similar
Amphetamine300-62-945 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.