CAS 84-69-5|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|DIISOBUTYL PHTHALATE|diisobutyl phthalate|Palatinol IC|Di(isobutyl)-1,2-benzenedicarboxylatc|Diisobutyl ester of phthalic acic|DIBc|Bis(...

General Information

Structure

Molecular Formula

C₁₆H₂₂O₄

Molecular Mass

278.34348

Exact Mass

278.15180918

Charge

InChI

InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3

InChIKey

MGWAVDBGNNKXQV-UHFFFAOYSA-N

Canonic Smiles

CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C

Isomeric Smiles

CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C

Calculated Properties

JChem

LogD (pH = 7.4)

4.47

LogD (pH = 5.5)

4.47

Log P

4.47

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

-6.66

Polar Surface Area

52.60

Polarizability

31.46

Molar Refractivity

77.60

LOG S

-4.41

Data Source

Names and Identifiers

IUPAC name

1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate

Synonyms

DIISOBUTYL PHTHALATEPalatinol ICDi(isobutyl)-1,2-benzenedicarboxylatcDiisobutyl ester of phthalic acicDIBcBis(2-methoxypropyl)ester,1,2-benzenedicarboxylic acic邻苯二甲酸二异丁酯DIBPDiisobutyl phthalateBenzene-1,2-dicarboxylic acid diisobutyl esterPhthalic acid diisobutyl esterdi(i-butyl)phthalate1,2-benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) esterisobutyl phthalateDIBP1,2-benzenedicarboxylic acid bis(2-methylpropyl) esterdi-2-methylpropyl phthalate1,2-benzenedicarboxylic acid di(2-methylpropyl) esterdiisobutyl phthalateisobutyl-o-phthalatebis(2-methylpropyl) phthalatephthalic acid, diisobutyl esterdi-iso-butyl phthalate

IUPAC Traditional name

diisobutyl phthalate

Names and Identifiers

Registration numbers

EC Number

CAS Number

Chemspider ID

KEGG ID