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Palmityl stearate

CAT: 0804-HY-W704677-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W704677-01Size:25 mg
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Description
Palmityl stearate (Cetyl stearate) is an ester product.
CAS Number
1190-63-2
Product Name Alternative
Cetyl stearate
UNSPSC
12352211
Hazard Statement
H315-H319-H413
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/palmityl-stearate.html
Smiles
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
Molecular Formula
C34H68O2
Molecular Weight
508.90
Precautions
P264-P273-P280-P302+P352-P305+P351+P338-P362+P364-P501
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cetyl Stearate

Palmityl stearate is a wax ester obtained by the formal condensation of palmityl alcohol with stearic acid. It is a wax ester and an octadecanoate ester. It is functionally related to a hexadecan-1-ol.

CAS Number1190-63-2
PubChem CID70924
IUPAC Namehexadecyl octadecanoate
Molecular FormulaC34H68O2
Molecular Weight508.9
XLogP16.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count32
Heavy Atom Count36
Formal Charge0
Complexity406
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
InChI
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
InChIKey
SSZBUIDZHHWXNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cetyl Stearate
CAS: 1190-63-2
CID: 70924
Formula: C34H68O2
MW: 508.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight508.9
XLogP316.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count32
Exact Mass508.52193141
Monoisotopic Mass508.52193141
Topological Polar Surface Area26.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity406
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