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Bis(2-ethylhexyl) isophthalate

Catalog Number
ACM137893-1
Product Name
Bis(2-ethylhexyl) isophthalate
Structure
CAS
137-89-3
Category
Polymerization Additives
Synonyms
1,3-Benzenedicarboxylic acid 1,3-bis(2-ethylhexyl) ester, DOIP, Di-2-ethylhexyl isophthalate, Isophthalic acid bis(2-ethylhexyl ester)
Description
Bis(2-ethylhexyl) isophthalate is a clear light yellow viscous liquid. (NTP, 1992)
IUPAC Name
bis(2-ethylhexyl) benzene-1,3-dicarboxylate
Molecular Weight
390.56
Molecular Formula
C24H38O4
Canonical SMILES
CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC
InChI
InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3
InChI Key
WXZOXVVKILCOPG-UHFFFAOYSA-N
Flash Point
greater than 200 °F (NTP, 1992)
Purity
98%
Solubility
less than 1 mg/mL at 61° F (NTP, 1992)
Complexity
396
Covalently-Bonded Unit Count
1
EC Number
205-308-0
Exact Mass
390.27701g/mol
Formal Charge
0
Heavy Atom Count
28
Monoisotopic Mass
390.27701g/mol
NSC Number
78995;6358
Rotatable Bond Count
16
UNII
0WDI822P2U
XLogP3
7.4
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