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Diethyl decanedioate

CAT: 0931-T21158-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0931-T21158-02Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110-40-7
Target
Others
Related Pathways
Others
Purity
0.9948
Bioactivity
Diethyl decanedioate (NSC 8911) is a dicarboxylic acid ester compound primarily used as a plasticiser in polyvinyl chloride (PVC), synthetic rubber, and cellulose resins.
Smiles
O=C(OCC)CCCCCCCCC(=O)OCC
Molecular Formula
C14H26O4
Molecular Weight
258.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Diethyl Sebacate

Diethyl decanedioate is a fatty acid ester.

CAS Number110-40-7
PubChem CID8049
IUPAC Namediethyl decanedioate
Molecular FormulaC14H26O4
Molecular Weight258.35
XLogP3.5
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity202
SMILES
CCOC(=O)CCCCCCCCC(=O)OCC
InChI
InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
InChIKey
ONKUXPIBXRRIDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl Sebacate
CAS: 110-40-7
CID: 8049
Formula: C14H26O4
MW: 258.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.35
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass258.18310931
Monoisotopic Mass258.18310931
Topological Polar Surface Area52.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity202
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
HY-W009443-01Diethyl decanedioate
HY-W009443R-01Diethyl decanedioate (Standard)
OR1078552-01Diisopropyl Decanedioate
AR-D06590-01Dioctyl Decanedioate
HY-W013466-01Dimethyl decanedioate
OR1061664-01Dihexyl decanedioate
HY-W415282Di-tert-butyl decanedioate
OR1024435-01Bis (6-Methylheptyl) Decanedioate
AR-D06592-01Bis (2-ethylhexyl) Decanedioate
TRC-B564330-1G1-Nonyl 10-(2-Phenoxyethyl) Decanedioate

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