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Methyl 2-hydroxy-4-methylvalerate (Standard)

CAT: 0804-HY-22167R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-22167R-01Size:5 mg
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Description
Methyl 2-hydroxy-4-methylvalerate (Standard) is the analytical standard of Methyl 2-hydroxy-4-methylvalerate. This product is intended for research and analytical applications. Methyl 2-hydroxy-4-methylvalerate is one of dominant volatile compounds in Zhenjiang aromatic vinegar. Methyl 2-hydroxy-4-methylvalerate is used for charting flavour biosynthesis networks of vinegar microbiota[1].
CAS Number
40348-72-9
UNSPSC
12352211
Target
Biochemical Assay Reagents; Reference Standards
Related Pathways
Others
Field of Research
Others
Smiles
CC(C)CC(O)C(OC)=O
Molecular Formula
C7H14O3
Molecular Weight
146.19
References & Citations
[1]Wu LH, et al. Metagenomics reveals flavour metabolic network of cereal vinegar microbiota. Food Microbiol. 2017 Apr;62:23-31.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Methyl 2-hydroxy-4-methylpentanoate

Methyl DL-Leucate is a fatty acid ester.

CAS Number40348-72-9
PubChem CID62908
IUPAC Namemethyl 2-hydroxy-4-methylpentanoate
Molecular FormulaC7H14O3
Molecular Weight146.18
XLogP1.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity109
SMILES
CC(C)CC(C(=O)OC)O
InChI
InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3
InChIKey
JOSNYUDSMPILKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-hydroxy-4-methylpentanoate
CAS: 40348-72-9
CID: 62908
Formula: C7H14O3
MW: 146.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.18
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass146.094294304
Monoisotopic Mass146.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity109
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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