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o-Tolylaldehyde

CAT: 0572-TRC-T536685-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T536685-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
529-20-4
Hazard Statement
Combustible liquid and vapour.
Smiles
Cc1ccccc1C=O
Molecular Formula
C8 H8 O
Molecular Weight
120.15
InChI
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
Additionnal Information
IUPAC name: 2-methylbenzaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

2-Methylbenzaldehyde

O-tolualdehyde is a tolualdehyde compound with the methyl substituent at the 2-position. It has a role as a plant metabolite.

CAS Number529-20-4
PubChem CID10722
IUPAC Name2-methylbenzaldehyde
Molecular FormulaC8H8O
Molecular Weight120.15
XLogP2.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity98
SMILES
CC1=CC=CC=C1C=O
InChI
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
InChIKey
BTFQKIATRPGRBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylbenzaldehyde
CAS: 529-20-4
CID: 10722
Formula: C8H8O
MW: 120.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.15
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass120.057514874
Monoisotopic Mass120.057514874
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity98.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
165710O-Tolylaldehyde
T16130Tolylaldehyde glyceryl acetyl
290779O, O, O-Triethyl Phosphorothioate
sc-473252O, O', O''-Triethyl Phosphorothioate
OR95833-01O, O, O-Trimethyl phosphorothioate
CS-T-86584O, o-TEPP
B10870-01O, o'-Biphenol
300705O, O-diacetyldaurisoline
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