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Diisopropyl Adipate

CAT: 0572-TRC-D459860-100MLSize: 100 mLDry Ice: NoHazardous: No
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CAT#:0572-TRC-D459860-100MLSize:100 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6938-94-9
Synonyms
Ceraphyl 230; Crodamol DA; Diisopropyl Adipate; Iso Adipat; Isopropyl Adipate; NSC 56587; Nikkol DID; Schercemol DIA; Standamul DIPA; Wickenol 116;
Hazard Statement
No Data Available
Smiles
CC(C)OC(=O)CCCCC(=O)OC(C)C
Molecular Formula
C12 H22 O4
Molecular Weight
230.3
InChI
InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
Additionnal Information
IUPAC name: diisopropyl hexanedioate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Diisopropyl Adipate

Diisopropyl adipate is an isopropyl ester and a fatty acid ester.

CAS Number6938-94-9
PubChem CID23368
IUPAC Namedipropan-2-yl hexanedioate
Molecular FormulaC12H22O4
Molecular Weight230.30
XLogP2.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity197
SMILES
CC(C)OC(=O)CCCCC(=O)OC(C)C
InChI
InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey
ZDQWESQEGGJUCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diisopropyl Adipate
CAS: 6938-94-9
CID: 23368
Formula: C12H22O4
MW: 230.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.30
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass230.15180918
Monoisotopic Mass230.15180918
Topological Polar Surface Area52.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity197
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
RG-P022560-01Diisopropyl Adipate
HY-134098R-01Diisopropyl adipate (Standard)
D32430-01Diisopropyl adipate Tech. Grade
C6772-1000Piperazine adipate
HY-W017222Monomethyl adipate
FH61692-01Hexamethylenediamine adipate
T70551-01Albuterol adipate
HY-W015301-01Dimethyl adipate
HY-116242-01Dioctyl adipate
165025Monobenzyl Adipate

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