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Diisobutyl adipate

CAT: 0013-GTR19202363Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202363Size:25 mg
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Description
Diisobutyl adipate is a diester compound commonly employed as a solvent or carrier in disinfectant formulations. In research, it is utilized as a plasticizer in in vitro cell culture studies and as a vehicle in topical delivery experiments.
CAS Number
141-04-8
Smiles
O=C (OCC (C) C) CCCCC (=O) OCC (C) C
Molecular Formula
C14H26O4
Molecular Weight
258.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Diisobutyl Adipate

Diisobutyl adipate is a fatty acid ester.

CAS Number141-04-8
PubChem CID8831
IUPAC Namebis(2-methylpropyl) hexanedioate
Molecular FormulaC14H26O4
Molecular Weight258.35
XLogP3.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count18
Formal Charge0
Complexity220
SMILES
CC(C)COC(=O)CCCCC(=O)OCC(C)C
InChI
InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey
RDOFJDLLWVCMRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diisobutyl Adipate
CAS: 141-04-8
CID: 8831
Formula: C14H26O4
MW: 258.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.35
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass258.18310931
Monoisotopic Mass258.18310931
Topological Polar Surface Area52.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity220
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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