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Octyl acetate (Standard)

CAT: 0804-HY-N0308R-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0308R-01Size:50 mg
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Description
Octyl acetate (Standard) is the analytical standard of Octyl acetate. This product is intended for research and analytical applications. Octyl acetate is an orally active aliphatic ester. Octyl acetate has certain antioxidant properties. Octyl acetate contributes to the formation of fruit aroma and affects the flavor of fruits such as strawberries. Octyl acetate can be used in the research of malignant melanoma, colon cancer and breast cancer[1][2][3][4].
CAS Number
112-14-1
UNSPSC
12352211
Target
Biochemical Assay Reagents; Reference Standards
Type
Reference Standards
Related Pathways
Others
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/octyl-acetate-standard.html
Smiles
CC(OCCCCCCCC)=O
Molecular Formula
C10H20O2
Molecular Weight
172.26
References & Citations
[1]Carroll MJ, et al. Heritability estimates for octyl acetate and octyl butyrate in the mature fruit of the wild parsnip. J Hered. 2000 Jan-Feb;91 (1) :68-71.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Octyl Acetate

Octyl acetate is the acetate ester of octan-1-ol. It has a role as a plant metabolite. It is functionally related to an octan-1-ol.

CAS Number112-14-1
PubChem CID8164
IUPAC Nameoctyl acetate
Molecular FormulaC10H20O2
Molecular Weight172.26
XLogP3.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count12
Formal Charge0
Complexity110
SMILES
CCCCCCCCOC(=O)C
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKey
YLYBTZIQSIBWLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octyl Acetate
CAS: 112-14-1
CID: 8164
Formula: C10H20O2
MW: 172.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.26
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass172.146329876
Monoisotopic Mass172.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity110
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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