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Potassium hexadecyl hydrogenphosphate

CAT: 0127-IN12119-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-IN12119-01Size:100 mg
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CAS Number
19035-79-1
MDL Number
MFCD04112600
Purity
97%
Smiles
[K+].CCCCCCCCCCCCCCCCOP(O)([O-])=O

Chemical Information

Potassium Cetyl Phosphate

The CIR Expert Panel concluded the following 28 alkyl phosphates are safe in the present practices of use and concentration in cosmetics when formulated to be non-irritating...Potassium Cetyl Phosphate...

CAS Number19035-79-1
PubChem CID23672321
IUPAC Namepotassium hexadecyl hydrogen phosphate
Molecular FormulaC16H34KO4P
Molecular Weight360.51
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity265
SMILES
CCCCCCCCCCCCCCCCOP(=O)(O)[O-].[K+]
InChI
InChI=1S/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+1/p-1
InChIKey
RMGVATURDVPNOZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Potassium Cetyl Phosphate
CAS: 19035-79-1
CID: 23672321
Formula: C16H34KO4P
MW: 360.51
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.51
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass360.18317804
Monoisotopic Mass360.18317804
Topological Polar Surface Area69.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity265
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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