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Isopropyl linoleate

CAT: 0804-HY-W127420Size: 1 EachDry Ice: NoHazardous: No
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Description
Isopropyl Linoleate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
22882-95-7
Product Name Alternative
Linoleic acid isopropyl ester
UNSPSC
12352200
Hazard Statement
H315-H319
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/isopropyl-linoleate.html
Solubility
10 mM in DMSO
Smiles
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(C)C
Molecular Formula
C21H38O2
Molecular Weight
322.53
Precautions
P264-P280-P302+P352-P362+P364
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Isopropyl Linoleate

The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.

CAS Number22882-95-7
PubChem CID5352860
IUPAC Namepropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
Molecular FormulaC21H38O2
Molecular Weight322.5
XLogP7.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count23
Formal Charge0
Complexity316
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(C)C
InChI
InChI=1S/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3/b9-8-,12-11-
InChIKey
XEIOPEQGDSYOIH-MURFETPASA-N
Chemical Structure
2D Structure
2D structure of Isopropyl Linoleate
CAS: 22882-95-7
CID: 5352860
Formula: C21H38O2
MW: 322.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight322.5
XLogP37.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass322.287180451
Monoisotopic Mass322.287180451
Topological Polar Surface Area26.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes