chempirical

Di-n-octyl phthalate

C24H38O4CAS 117-84-0390.56 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
0.978 g/mL (at 20 °C)
Melting point
−25 °C
Boiling point
220 °C (at 4 Torr)
Water solubility
22 µg/L (25 °C)
logP
6.72Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
16

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
117-84-0
SMILES
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
InChIKey
MQIUGAXCHLFZKX-UHFFFAOYSA-N
InChI
InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3

Weigh it out

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

Names and synonyms

16 names · show all
  • 1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester
  • Phthalic acid, dioctyl ester
  • 1,2-Benzenedicarboxylic acid, dioctyl ester
  • Dinopol NOP
  • n-Octyl phthalate
  • Vinycizer 85
  • Octyl phthalate
  • Phthalic acid dioctyl ester
  • DNOP
  • Dioctyl o-phthalate
  • Dicaprylyl phthalate
  • NSC 15318
  • Bis(n-octyl) phthalate
  • Monocizer W 555
  • 1,2-Di-n-octyl phthalate
  • Dioctyl phthalate

Work with Di-n-octyl 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

Diheptyl phthalate3648-21-3100 % similar Dihexyl phthalate84-75-3100 % similar Dinonyl 1,2-benzenedicarboxylate84-76-4100 % similar Didecyl phthalate84-77-5100 % similar Dipentyl phthalate131-18-097 % similar Dibutyl phthalate84-74-287 % similar Hexyl salicylate6259-76-378 % similar n-Octyl salicylate6969-49-978 % similar

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

Same formula

Bis(2-ethylhexyl) phthalate117-81-7 Diisooctyl phthalate27554-26-3 7-Ketolithocholic acid4651-67-6 Bis(2-ethylhexyl) terephthalate6422-86-2

Elsewhere

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