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Methyl undecanoate

CAT: 0804-HY-W004285-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W004285-01Size:1 g
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Description
Methyl undecanoate is an internal standard in gas-liquid chromatogram[1].
CAS Number
1731-86-8
UNSPSC
12352211
Hazard Statement
H318
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/methyl-undecanoate.html
Purity
98.82
Solubility
10 mM in DMSO|DMSO : ≥ 10mg/mL
Smiles
CCCCCCCCCCC(=O)OC
Molecular Formula
C12H24O2
Molecular Weight
200.32
Precautions
H318
References & Citations
[1]Cristina Cruz-Hernandez, et al. Direct quantification of fatty acids in human milk by gas chromatography. J Chromatogr A. 2013 Apr 5;1284:174-9.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methyl undecanoate

Methyl undecanoate is a fatty acid methyl ester of undecanoic acid. It has a role as a metabolite. It is functionally related to an undecanoic acid.

CAS Number1731-86-8
PubChem CID15607
IUPAC Namemethyl undecanoate
Molecular FormulaC12H24O2
Molecular Weight200.32
XLogP5.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity132
SMILES
CCCCCCCCCCC(=O)OC
InChI
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3
InChIKey
XPQPWPZFBULGKT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl undecanoate
CAS: 1731-86-8
CID: 15607
Formula: C12H24O2
MW: 200.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.32
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass200.177630004
Monoisotopic Mass200.177630004
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity132
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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