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Isopropyl 2-ethylhexanoate

CAT: 1410-M37423-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M37423-01Size:1 Each
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Description
Isopropyl 2-ethylhexanoate (Propan-2-yl 2-ethylhexanoate) participates in the synthesis of ink thickeners.
CAS Number
67024-46-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
186.29
Molecular Formula
C11H22O2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Propan-2-yl 2-ethylhexanoate
CAS Number67024-46-8
PubChem CID106701
IUPAC Namepropan-2-yl 2-ethylhexanoate
Molecular FormulaC11H22O2
Molecular Weight186.29
XLogP3.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity141
SMILES
CCCCC(CC)C(=O)OC(C)C
InChI
InChI=1S/C11H22O2/c1-5-7-8-10(6-2)11(12)13-9(3)4/h9-10H,5-8H2,1-4H3
InChIKey
KWJPCZGVGLPKMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propan-2-yl 2-ethylhexanoate
CAS: 67024-46-8
CID: 106701
Formula: C11H22O2
MW: 186.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.29
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass186.161979940
Monoisotopic Mass186.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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