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Isopropyl stearate

CAT: 0804-HY-W415007Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W415007Size:250 mg
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Description
Isopropyl stearate (Stearic acid, isopropyl ester) is an ester product.
CAS Number
112-10-7
Product Name Alternative
Stearic acid, isopropyl ester
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/isopropyl-stearate.html
Purity
99.99
Smiles
CCCCCCCCCCCCCCCCCC(OC(C)C)=O
Molecular Formula
C21H42O2
Molecular Weight
326.56
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Isopropyl Stearate

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 Number112-10-7
PubChem CID8162
IUPAC Namepropan-2-yl octadecanoate
Molecular FormulaC21H42O2
Molecular Weight326.6
XLogP9.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Heavy Atom Count23
Formal Charge0
Complexity248
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C)C
InChI
InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3
InChIKey
ZPWFUIUNWDIYCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl Stearate
CAS: 112-10-7
CID: 8162
Formula: C21H42O2
MW: 326.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.6
XLogP39.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Exact Mass326.318480578
Monoisotopic Mass326.318480578
Topological Polar Surface Area26.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity248
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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