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Palmityl dodecanoate

CAT: 0024-sc-215670ASize: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-215670ASize:500 mg
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CAS Number
20834-06-4

Chemical Information

Cetyl Laurate

Palmityl laurate is a wax ester resulting from the formal condensation of lauric acid with palmityl alcohol. It is a wax ester and a dodecanoate ester. It is functionally related to a hexadecan-1-ol.

CAS Number20834-06-4
PubChem CID88709
IUPAC Namehexadecyl dodecanoate
Molecular FormulaC28H56O2
Molecular Weight424.7
XLogP13
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count26
Heavy Atom Count30
Formal Charge0
Complexity327
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30-28(29)26-24-22-20-18-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey
VWOKINHIVGKNRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cetyl Laurate
CAS: 20834-06-4
CID: 88709
Formula: C28H56O2
MW: 424.7
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight424.7
XLogP313
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count26
Exact Mass424.42803102
Monoisotopic Mass424.42803102
Topological Polar Surface Area26.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity327
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