chempirical

Dihexyl phthalate

C20H30O4CAS 84-75-3334.46 g/mol

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Ester

Properties

Molecular formula
C20H30O4
Molar mass
334.46 g/mol
Exact mass
334.2144 Da
Density
1 g/mL
Melting point
−58 °C
Boiling point
210 °C (at 5 Torr)
logP
5.16Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
12

Identifiers

CAS number
84-75-3
SMILES
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
InChIKey
KCXZNSGUUQJJTR-UHFFFAOYSA-N
InChI
InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • 1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester
  • Phthalic acid, dihexyl ester
  • 1,2-Benzenedicarboxylic acid, dihexyl ester
  • Di-n-hexyl phthalate
  • Bis(n-hexyl) phthalate
  • Jayflex DHP
  • NSC 4817

Work with Dihexyl 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

Di-N-octyl phthalate117-84-0100 % similar Diheptyl phthalate3648-21-3100 % 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

(1Ar,2E,4ar,6S,7S,7ar,8R,11as)-1,1A,4A,5,6,7,7A,8,9,10,11,11A-dodecahydro-4A,7,8-trihydroxy-1,1,3,6-tetramethyl-9-methylene-4H-cyclopenta[A]cyclopropa[F]cycloundecen-4-one34420-19-4 Deoxyandrographolide4176-97-0

Elsewhere

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