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Dodecyl Stearate

CAT: 0013-GTR19245236-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19245236-02Size:100 mg
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Description
Dodecyl Stearate is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
5303-25-3
Smiles
CCCCCCCCCCCCCCCCCC (=O) OCCCCCCCCCCCC
Molecular Formula
C30H60O2
Molecular Weight
452.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lauryl 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 Number5303-25-3
PubChem CID79186
IUPAC Namedodecyl octadecanoate
Molecular FormulaC30H60O2
Molecular Weight452.8
XLogP14.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count28
Heavy Atom Count32
Formal Charge0
Complexity353
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
InChI
InChI=1S/C30H60O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h3-29H2,1-2H3
InChIKey
JRTVEUGOGWTHTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lauryl Stearate
CAS: 5303-25-3
CID: 79186
Formula: C30H60O2
MW: 452.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight452.8
XLogP314.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count28
Exact Mass452.45933115
Monoisotopic Mass452.45933115
Topological Polar Surface Area26.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity353
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