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M-Tolualdehyde

CAT: 0804-HY-78086-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-78086-01Size:5 g
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Description
M-Tolualdehyde (3-Methylbenzaldehyde) is a natural product. m-Tolualdehyde can be isolated from Ficus carica L. and Myosotis arvensis. m-Tolualdehyde has food protective effects. m-Tolualdehyde shows acaricidal activities for Tyrophagus putrescentiae with a LD50 of 1.97 μg/cm3[1][2].
CAS Number
620-23-5
Product Name Alternative
3-Methylbenzaldehyde
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Bacterial; Endogenous Metabolite
Type
Natural Products
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/m-tolualdehyde.html
Purity
99.58
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=CC1=CC=CC(C)=C1
Molecular Formula
C8H8O
Molecular Weight
120.15
Precautions
H302, H315, H319, H335
References & Citations
[1]Raquel Rodríguez-Solana, et al. Production method and varietal source influence the volatile profiles of spirits prepared from fig fruits (Ficus carica L.) . European Food Research and Technology volume 244, pages2213–2229 (2018) |[2]Park JH, et al. Food Protective Effects of 3-Methylbenzaldehyde Derived from Myosotis arvensis and Its Analogues against Tyrophagus putrescentiae. Sci Rep. 2017 Jul 26;7 (1) :6608.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

3-Methylbenzaldehyde

M-tolualdehyde is a tolualdehyde compound with the methyl substituent at the 3-position. It has a role as a plant metabolite.

CAS Number620-23-5
PubChem CID12105
IUPAC Name3-methylbenzaldehyde
Molecular FormulaC8H8O
Molecular Weight120.15
XLogP2
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=C1)C=O
InChI
InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
InChIKey
OVWYEQOVUDKZNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylbenzaldehyde
CAS: 620-23-5
CID: 12105
Formula: C8H8O
MW: 120.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.15
XLogP32
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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