1,2-Bis-isodecyl-4-isotridecyl Trimellitate - CAS 70225-05-7

Catalog:	BB072898
Product Name:	1,2-Bis-isodecyl-4-isotridecyl Trimellitate
CAS:	70225-05-7
Synonyms:	1,2,4-Benzenetricarboxylic acid, mixed branched tridecyl and isodecyl esters; 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate; 1,2,4-Benzenetricarboxylic acid, branched tridecyl isodecyl esters

Technical Data

IUPAC Name:	1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate
Description:	1,2-Bis-isodecyl-4-isotridecyl Trimellitate is prepared from trimellitic anhydride chloride (T795870), which is a reagent used to synthesize optical polyamideimides.
Molecular Weight:	675.03
Molecular Formula:	C42H74O6
Canonical SMILES:	CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C
InChI:	InChI=1S/C42H72O6/c1-6-7-8-9-10-11-12-13-14-19-24-31-46-40(43)37-29-30-38(41(44)47-32-25-20-15-17-22-27-35(2)3)39(34-37)42(45)48-33-26-21-16-18-23-28-36(4)5/h29-30,34-36H,6-28,31-33H2,1-5H3
InChI Key:	YNKHAYUWCVQHBA-UHFFFAOYSA-N
Appearance:	Liquid

Complexity:	793
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	672.53289001
Formal Charge:	0
Heavy Atom Count:	48
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	672.53289001
Rotatable Bond Count:	34
Topological Polar Surface Area:	78.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	16