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Methyl behenate (Standard)

CAT: 0804-HY-W009082R-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W009082R-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Methyl behenate (Standard) is the analytical standard of Methyl behenate. This product is intended for research and analytical applications. Methyl behenate (Methyl docosanoate) is a fatty acid methyl ester. Methyl behenate can be isolated from the plant Aspidopterys obcordata Lemsl. Methyl behenate can be used as a phase change material[1][2].
CAS Number
929-77-1
Product Name Alternative
Methyl docosanoate (Standard)
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents; Reference Standards
Type
Reference Standards
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/methyl-behenate-standard.html
Purity
90.000000
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCCCCCCCCCCCCCC(OC)=O
Molecular Formula
C23H46O2
Molecular Weight
354.62
Precautions
P261-P302+P352-P304+P340
References & Citations
[1]Wu Rui, et al. Study on the chemical constituents of Aspidopterys obcordata Hemsl. Natural Product Research and Development, 01 Jan 2001, 13 (1) :14-16.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

Methyl behenate

Methyl behenate is a fatty acid methyl ester.

CAS Number929-77-1
PubChem CID13584
IUPAC Namemethyl docosanoate
Molecular FormulaC23H46O2
Molecular Weight354.6
XLogP11.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Heavy Atom Count25
Formal Charge0
Complexity263
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
InChIKey
QSQLTHHMFHEFIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl behenate
CAS: 929-77-1
CID: 13584
Formula: C23H46O2
MW: 354.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.6
XLogP311.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Exact Mass354.349780706
Monoisotopic Mass354.349780706
Topological Polar Surface Area26.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity263
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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