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Isopropyl linoleate

CAT: 0931-TYD-01016-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-01016-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22882-95-7
Bioactivity
Isopropyl linoleate is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(C)C
Molecular Formula
C21H38O2
Molecular Weight
322.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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Alternative Products

CatalogName
sc-487224Isopropyl Linoleate
M17829-01Methyl Linoleate
HY-W011398-01Linoleate (sodium)
HY-W552133Propyl linoleate
HY-165764Arachidyl linoleate
HY-127098Kahweol linoleate
278338-01Glycidyl linoleate
MBS394683-01Sodium Linoleate
sc-214699Cholesteryl linoleate
GTR19216275-01Ethyl linoleate

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