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4-Ethylbenzaldehyde (Standard)

CAT: 0804-HY-W012657R-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W012657R-01Size:25 mg
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Description
4-Ethylbenzaldehyde (Standard) is the analytical standard of 4-Ethylbenzaldehyde. This product is intended for research and analytical applications. 4-Ethylbenzaldehyde is an aldehyde type organic compound with an almond-like odor. 4-Ethylbenzaldehyde is naturally present in various foods such as grilled meat, black tea, peanuts, etc. 4-Ethylbenzaldehyde has significant effects in controlling plant parasitic nematodes. 4-Ethylbenzaldehyde has genotoxicity and potential for liver damage in zebrafish models.
CAS Number
4748-78-1
UNSPSC
12352005
Target
Parasite; Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Smiles
O=CC1=CC=C(CC)C=C1
Molecular Formula
C9H10O
Molecular Weight
134.18
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

4-Ethylbenzaldehyde

4-Ethylbenzaldehyde is a carbonyl compound.

CAS Number4748-78-1
PubChem CID20861
IUPAC Name4-ethylbenzaldehyde
Molecular FormulaC9H10O
Molecular Weight134.17
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity101
SMILES
CCC1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
InChIKey
QNGNSVIICDLXHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethylbenzaldehyde
CAS: 4748-78-1
CID: 20861
Formula: C9H10O
MW: 134.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.17
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass134.073164938
Monoisotopic Mass134.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity101
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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