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Ethyl Oleate

CAT: 0127-OR1013254-01Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1013254-01Size:100 mL
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CAS Number
111-62-6
MDL Number
MFCD00009579
Purity
90%
Smiles
CCCCCCCC\C=C/CCCCCCCC(=O)OCC
Storage Conditions
Store at -20°C

Chemical Information

Ethyl Oleate

Ethyl oleate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of oleic acid with the hydroxy group of ethanol. It has a role as an acaricide and a plant metabolite. It is functionally related to an oleic acid.

CAS Number111-62-6
PubChem CID5363269
IUPAC Nameethyl (Z)-octadec-9-enoate
Molecular FormulaC20H38O2
Molecular Weight310.5
XLogP8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Heavy Atom Count22
Formal Charge0
Complexity258
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC
InChI
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
InChIKey
LVGKNOAMLMIIKO-QXMHVHEDSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Oleate
CAS: 111-62-6
CID: 5363269
Formula: C20H38O2
MW: 310.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.5
XLogP38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass310.287180451
Monoisotopic Mass310.287180451
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
S5367-01Ethyl Oleate
sc-218410Ethyl Oleate-d5
HY-N7103R-01Ethyl oleate (Standard)

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