chempirical

Diisooctyl phthalate

C24H38O4CAS 27554-26-3390.56 g/mol

Open in Covalent MOL file
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Ester

Properties

Molecular formula
C24H38O4
Molar mass
390.56 g/mol
Exact mass
390.2770 Da
Density
0.984 g/mL (at 20 °C)
Melting point
−4 °C
Boiling point
370 °C
Flash point
227 °C (closed cup)
logP
6.43Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
14

Hazards

Danger
Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
27554-26-3
SMILES
CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C
InChIKey
IJFPVINAQGWBRJ-UHFFFAOYSA-N
InChI
InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 1,2-Benzenedicarboxylic acid, 1,2-diisooctyl ester
  • 1,2-Benzenedicarboxylic acid, diisooctyl ester
  • Phthalic acid, diisooctyl ester
  • Hexaplas M/O
  • Corflex 880
  • Unem 5005
  • Hexaplas DIOP
  • Jayflex DIOP
  • Diisooctyl 1,2-benzenedicarboxylate
  • Diisooctyl o-phthalate

Work with Diisooctyl phthalate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diisodecyl phthalate26761-40-0100 % similar Diisononyl phthalate28553-12-0100 % similar Diheptyl phthalate3648-21-365 % similar Dihexyl phthalate84-75-365 % similar Dinonyl 1,2-benzenedicarboxylate84-76-465 % similar Didecyl phthalate84-77-565 % similar Dipentyl phthalate131-18-062 % similar Diisobutyl phthalate84-69-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bis(2-ethylhexyl) phthalate117-81-7 Di-n-octyl phthalate117-84-0 7-Ketolithocholic acid4651-67-6 Bis(2-ethylhexyl) terephthalate6422-86-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook