chempirical

Diisononyl phthalate

C26H42O4CAS 28553-12-0418.62 g/mol

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Ester

Properties

Molecular formula
C26H42O4
Molar mass
418.62 g/mol
Exact mass
418.3083 Da
Density
1–6 g/mL (at 20 °C)
Melting point
−43 °C
Boiling point
244–252 °C (at 5 Torr)
Flash point
221 °C (closed cup)
Water solubility
200 µg/L (20 °C)
logP
7.21Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
16

Hazards

Not classified as hazardous under GHS by 901 ECHA notifiers. Aggregated from 901 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
28553-12-0
SMILES
CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C
InChIKey
HBGGXOJOCNVPFY-UHFFFAOYSA-N
InChI
InChI=1S/C26H42O4/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/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3

Weigh it out

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

Names and synonyms

22 names · show all
  • 1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester
  • Phthalisocizer DINP
  • Palatinol N
  • Jayflex DINP
  • Baylectrol 4200
  • Vinycizer 90
  • Palatinol DINP
  • Vestinol 9
  • JAY-DINP
  • Diacizer DINP
  • Monocizer DINP
  • Plastomoll DINP
  • Jayflex DINP-S
  • Phthalic acid, diisononyl ester
  • 1,2-Benzenedicarboxylic acid, diisononyl ester
  • Isononyl alcohol, phthalate (2:1)
  • Palatinol DN
  • Vestinol NN
  • Witamol 150
  • ENJ 2065
  • DINP
  • Sansocizer DINP

Work with Diisononyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diisodecyl phthalate26761-40-0100 % similar Diisooctyl phthalate27554-26-3100 % similar Di-n-octyl phthalate117-84-065 % similar Diheptyl phthalate3648-21-365 % similar Dihexyl phthalate84-75-365 % 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

Maxacalcitol103909-75-7 Dinonyl 1,2-benzenedicarboxylate84-76-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook