3,5-Dimethylbenzaldehyde

C9H10OCAS 5779-95-3134.18 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
logP
2.12Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
5779-95-3
SMILES
CC1=CC(=CC(=C1)C=O)C
InChIKey
NBEFMISJJNGCIZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3

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Names and synonyms

1 names
  • Benzaldehyde, 3,5-dimethyl-

Work with 3,5-Dimethylbenzaldehyde

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

3-Fluoro-5-methylbenzaldehyde189628-39-568 % similar 3-Methylbenzaldehyde620-23-560 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-658 % similar 4-Methylbenzaldehyde104-87-057 % similar 2,4,6-Trimethylbenzaldehyde487-68-352 % similar Mesitylene108-67-850 % similar 4'-Methylbiphenyl-4-carbaldehyde36393-42-750 % similar 3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetone103-79-7 Hydrocinnamaldehyde104-53-0 Cinnamyl alcohol104-54-1 (4-Vinylphenyl)methanol1074-61-9 2,6-Dimethylbenzaldehyde1123-56-4 P-Methylacetophenone122-00-9 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6

Elsewhere

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