Diisobutyl phthalate
Properties
- Molecular formula
- C16H22O4
- Molar mass
- 278.35 g/mol
- Exact mass
- 278.1518 Da
- Density
- 1.039 g/mL (at 20 °C)
- Melting point
- −64 °C
- Boiling point
- 296.5 °C
- logP
- 3.31Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 6
Identifiers
CAS number
84-69-5SMILES
CC(C)COC(=O)c1ccccc1C(=O)OCC(C)CInChIKey
MGWAVDBGNNKXQV-UHFFFAOYSA-NInChI
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,9-10H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- 1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester
- Phthalic acid, diisobutyl ester
- 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
- Hexaplas M/1B
- Palatinol IC
- Isobutyl phthalate
- Di-iso-Butyl phthalate
- Di(isobutyl) 1,2-benzenedicarboxylate
- Di(2-methylpropyl) phthalate
- 1,2-Benzenedicarboxylic acid diisobutyl ester
- Reomol DiBP
- NSC 15316
- Bis(2-methylpropyl) phthalate
- 2-Methylpropyl phthalate
- Bis(2-methylpropyl) o-phthalate
Work with Diisobutyl 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
Isobutyl anthranilate7779-77-376 % similar
Isobutyl salicylate87-19-476 % similar
Isobutyl benzoate120-50-371 % similar
Fluorescent yellow 8G2744-50-564 % similar
Dipropyl phthalate131-16-859 % similar
Diethyl phthalate84-66-258 % similar
Isobutyl phenylacetate102-13-657 % similar
Isobutylparaben4247-02-356 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds