CAS 166412-78-8 Di-isononyl-cyclohexane-1,2-dicarboxylate

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Di-isononyl-cyclohexane-1,2-dicarboxylate

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Catalog Number

ACM166412788

CAS Number

166412-78-8

Product Name

Di-isononyl-cyclohexane-1,2-dicarboxylate

Structure

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

Di-isononyl-cyclohexane-1,2-dicarboxylate;1,2-CYCLOHEXYLDICARBOXYLICACID,DIISONONYLESTER;Diisononyl 1,2-cyclohexanedicarboxylate;Diisononyl hexahydrophthalate;Dinch;Hexamoll dinch;1,2-Cyclohexanedicarboxylic acid diisononyl ester;Di-isononyl-cyclohex

IUPAC Name

bis(7-methyloctyl) cyclohexane-1,2-dicarboxylate

Molecular Weight

424.7g/mol

Molecular Formula

C26H48O4

Canonical SMILES

CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C

InChI

InChI=1S/C26H48O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h21-24H,5-20H2,1-4H3

InChI Key

HORIEOQXBKUKGQ-UHFFFAOYSA-N

Boiling Point

394 °C

Flash Point

224 °C (COC)

Density

Specific gravity slightly less than 1

Solubility

In water, 8.8X10-6 mg/L at 25 °C (est);Iin water, <0.02 mg/L

Color/Form

Colorless liquid

Complexity

416

Covalently-Bonded Unit Count

EC Number

605-439-7

Exact Mass

424.35526g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 9.82 (est)

MeSH Entry Terms

diisononyl 1,2-cyclohexanedicarboxylic acid;DINCH cpd;hexamoll

Monoisotopic Mass

424.35526g/mol

Odor

Odorless

Other Experimental

VP: 1.2X10-7 mm Hg;Henry's Law constant = 7.06X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.07X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

UNII

H26MNT7GT7

Vapor Pressure

9.62X10-7 mm Hg at 25 °C (est)

XLogP3

8.9

MSDS

Download MSDS

COA

Download COA

Spec Sheet