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Palmityl acetate

CAT: 0024-sc-215669Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-215669Size:1 g
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CAS Number
629-70-9

Chemical Information

Cetyl Acetate

Palmityl acetate is an acetate ester derived from hexadecan-1-ol (palmityl alcohol); used as an emollient, masking agent and skin conditioner; pheromone constituent present in various species of mouse, arachnid and insect. It has a role as a pheromone, an epitope and a cosmetic. It is functionally related to a hexadecan-1-ol.

CAS Number629-70-9
PubChem CID12393
IUPAC Namehexadecyl acetate
Molecular FormulaC18H36O2
Molecular Weight284.5
XLogP7.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity202
SMILES
CCCCCCCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
InChIKey
LSTDYDRCKUBPDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cetyl Acetate
CAS: 629-70-9
CID: 12393
Formula: C18H36O2
MW: 284.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight284.5
XLogP37.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass284.271530387
Monoisotopic Mass284.271530387
Topological Polar Surface Area26.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity202
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