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4-Methoxybenzaldehyde (Standard)

CAT: 0804-HY-Y0740R-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0740R-01Size:50 mg
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Description
4-Methoxybenzaldehyde (Standard) is the analytical standard of 4-Methoxybenzaldehyde. This product is intended for research and analytical applications. 4-Methoxybenzaldehyde (p-anisaldehyde) is a fragrant phenolic compound. 4-Methoxybenzaldehyde has been found in many plant species including horseradish, anise, star anise. 4-Methoxybenzaldehyde is a possible neurotoxicant and it has shown effects that include mortality, attractancy, and interference with host seeking [1].
CAS Number
123-11-5
UNSPSC
12352005
Hazard Statement
H361-H402-H412
Target
Endogenous Metabolite; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/4-methoxybenzaldehyde-standard.html
Smiles
O=CC1=CC=C(OC)C=C1
Molecular Formula
C8H8O2
Molecular Weight
136.15
Precautions
P273-P280-P405-P501
References & Citations
[1]Showler AT , et al. Effects of the Botanical Compound p-Anisaldehyde on Horn Fly (Diptera: Muscidae) Repellency, Mortality, and Reproduction. J Med Entomol. 2018 Jan 10;55 (1) :183-192.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

4-Methoxybenzaldehyde

P-methoxybenzaldehyde is a member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. It has a role as an insect repellent, a plant metabolite, a bacterial metabolite and a human urinary metabolite.

CAS Number123-11-5
PubChem CID31244
IUPAC Name4-methoxybenzaldehyde
Molecular FormulaC8H8O2
Molecular Weight136.15
XLogP1.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity104
SMILES
COC1=CC=C(C=C1)C=O
InChI
InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKey
ZRSNZINYAWTAHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxybenzaldehyde
CAS: 123-11-5
CID: 31244
Formula: C8H8O2
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass136.052429494
Monoisotopic Mass136.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity104
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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