Dipentyl phthalate
Properties
- Molecular formula
- C18H26O4
- Molar mass
- 306.40 g/mol
- Exact mass
- 306.1831 Da
- Density
- 1.022 g/mL (at 20 °C)
- Boiling point
- 342 °C
- Water solubility
- 800 µg/L (25 °C)
- logP
- 4.38Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 10
Hazards
Danger
- H360FD May damage fertility; May damage the unborn childReproductive toxicity
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
Harmonised EU classification (CLP Annex VI, index 607-426-00-1[3]), via PubChem.
Precautionary statements
P203, P273, P280, P318, P391, P405, P501
Identifiers
CAS number
131-18-0SMILES
CCCCCOC(=O)c1ccccc1C(=O)OCCCCCInChIKey
IPKKHRVROFYTEK-UHFFFAOYSA-NInChI
InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester
- Phthalic acid, dipentyl ester
- 1,2-Benzenedicarboxylic acid, dipentyl ester
- Amoil
- Amyl phthalate
- Diamyl phthalate
- Di-n-amyl phthalate
- Di-n-pentyl phthalate
- Di-n-pentyl o-phthalate
- NSC 4720
- 1,2-Dipentyl benzene-1,2-dicarboxylate
Work with Dipentyl 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
Di-n-octyl phthalate117-84-097 % similar
Diheptyl phthalate3648-21-397 % similar
Dihexyl phthalate84-75-397 % similar
Dinonyl 1,2-benzenedicarboxylate84-76-497 % similar
Didecyl phthalate84-77-597 % similar
Dibutyl phthalate84-74-290 % similar
Amyl salicylate2050-08-077 % similar
Dipropyl phthalate131-16-877 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.