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Ethyl dodecanoate

CAT: 0013-GTR19238990Size: 10 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19238990Size:10 g
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Description
Ethyl dodecanoate (CAS 106-33-2) is a fragrance ester widely used in perfumery and cosmetic formulations. In research, it serves as a standard in analytical chemistry and is studied for its olfactory properties and metabolic pathways in model organisms.
CAS Number
106-33-2
Product Name Alternative
Ethyl Laurate, Lauric acid ethyl ester
Purity
99.40% (May vary between batches)
Smiles
CCCCCCCCCCCC (=O) OCC
Molecular Formula
C14H28O2
Molecular Weight
228.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl Dodecanoate

Ethyl laurate is a fatty acid ethyl ester of lauric acid. It has a role as a metabolite.

CAS Number106-33-2
PubChem CID7800
IUPAC Nameethyl dodecanoate
Molecular FormulaC14H28O2
Molecular Weight228.37
XLogP5.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count16
Formal Charge0
Complexity155
SMILES
CCCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3
InChIKey
MMXKVMNBHPAILY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Dodecanoate
CAS: 106-33-2
CID: 7800
Formula: C14H28O2
MW: 228.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.37
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass228.208930132
Monoisotopic Mass228.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity155
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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Alternative Products

CatalogName
T84140-01Ethyl dodecanoate
449671-01Ethyl Laurate (Ethyl Dodecanoate)
TRC-E917385-5GEthyl Laurate(Ethyl Dodecanoate)
449751Ethyl-d5 Dodecanoate
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E917386Ethyl Dodecanoate-d23
sc-327582AEthyl perfluoro-n-dodecanoate
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