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Isopropyl adipate

Catalog Number
ACM6938949-1
Product Name
Isopropyl adipate
Structure
CAS
6938-94-9
Category
Plastic Additives
Description
Liquid;Liquid;Clear colourless liquid; Light alcoholic aroma
IUPAC Name
dipropan-2-yl hexanedioate
Molecular Weight
230.3g/mol
Molecular Formula
C12H22O4
Canonical 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
InChI Key
ZDQWESQEGGJUCH-UHFFFAOYSA-N
Melting Point
-1.1 °C;Mp -1 °;-1°C
Density
0.963-0.968 (20?°)
Solubility
Practically insoluble or insoluble in water;Soluble (in ethanol)
Complexity
197
Covalently-Bonded Unit Count
1
EC Number
230-072-0
Exact Mass
230.151809g/mol
Formal Charge
0
Heavy Atom Count
16
MeSH Entry Terms
adipic acid diisopropyl ester;diisopropyl adipate
Monoisotopic Mass
230.151809g/mol
NSC Number
56587
Refractive Index
n20D 1.4247;1.423-1.427
Rotatable Bond Count
9
UNII
P7E6YFV72X
XLogP3
2.2
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