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Ethyl tridecanoate

CAT: 1410-M37458-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M37458-02Size:1 g
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Description
Ethyl tridecanoate is an industrial lubricant that can be used in synthetic fragrances, dyes, and plastics.
CAS Number
28267-29-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
242.4
Molecular Formula
C15H30O2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Ethyl tridecanoate

Ethyl tridecanoate is a fatty acid ester.

CAS Number28267-29-0
PubChem CID119908
IUPAC Nameethyl tridecanoate
Molecular FormulaC15H30O2
Molecular Weight242.40
XLogP6.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count17
Formal Charge0
Complexity166
SMILES
CCCCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3
InChIKey
QJYYMNOTJXIOBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl tridecanoate
CAS: 28267-29-0
CID: 119908
Formula: C15H30O2
MW: 242.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.40
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass242.224580195
Monoisotopic Mass242.224580195
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity166
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

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