Diisopropyl phthalate

C₁₄H₁₈O₄CAS 605-45-8250.29 g/mol

Open in Covalent MOL file

Ester

Properties

Molecular formula: C₁₄H₁₈O₄
Molar mass: 250.29 g/mol
Exact mass: 250.1205 Da
Density: 1.074 g/mL (at 20 °C)
Boiling point: 130 °C (at 12 Torr)
logP: 2.82Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.1% of notifiers
H351 Suspected of causing cancer95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

605-45-8

SMILES

CC(C)OC(=O)c1ccccc1C(=O)OC(C)C

InChIKey

QWDBCIAVABMJPP-UHFFFAOYSA-N

InChI

InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3

Weigh it out

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

Names and synonyms

5 names

1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester
Phthalic acid, diisopropyl ester
1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester
Diisopropyl phthalic acid
NSC 15315

Work with Diisopropyl 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

Isopropyl salicylate607-85-273 % similar Isopropyl benzoate939-48-068 % similar Phthalic anhydride85-44-954 % similar Dimethyl phthalate131-11-354 % similar Dicyclohexyl phthalate84-61-753 % similar Diisobutyl phthalate84-69-553 % similar Isocarbophos24353-61-552 % similar Propan-2-yl 4-aminobenzoate18144-43-952 % similar

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

Same formula

Dipropyl phthalate131-16-8 Trolox53188-07-1 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-8 Benzyl tert-butyl malonate72594-86-6 Coenzyme Q1727-81-1

Elsewhere

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