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Dicaprylyl carbonate

CAT: 1410-M23754-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M23754-01Size:1 g
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Description
Dicaprylyl carbonate is a solid fat derived from plants and a dry emollient.
CAS Number
1680-31-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
286.45
Molecular Formula
C17H34O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Dicaprylyl Carbonate

The CIR Expert Panel concluded that the following 6 dialkyl carbonates are safe in the present practices of use and concentration, as described in this safety assessment, when formulated to be non-irritating...Dicaprylyl Carbonate...

CAS Number1680-31-5
PubChem CID9904000
IUPAC Namedioctyl carbonate
Molecular FormulaC17H34O3
Molecular Weight286.4
XLogP7.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity184
SMILES
CCCCCCCCOC(=O)OCCCCCCCC
InChI
InChI=1S/C17H34O3/c1-3-5-7-9-11-13-15-19-17(18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
PKPOVTYZGGYDIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dicaprylyl Carbonate
CAS: 1680-31-5
CID: 9904000
Formula: C17H34O3
MW: 286.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.4
XLogP37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass286.25079494
Monoisotopic Mass286.25079494
Topological Polar Surface Area35.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity184
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