2,4-D Isooctyl ester

C₁₆H₂₂Cl₂O₃CAS 25168-26-7333.25 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether

Properties

Molecular formula: C₁₆H₂₂Cl₂O₃
Molar mass: 333.25 g/mol
Exact mass: 332.0946 Da
Density: 1.14–1.17 g/mL (at 20 °C)
Melting point: 12 °C
Boiling point: 317 °C
logP: 5.13Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

25168-26-7

SMILES

CC(C)CCCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl

InChIKey

BBPLSOGERZQYQC-UHFFFAOYSA-N

InChI

InChI=1S/C16H22Cl2O3/c1-12(2)6-4-3-5-9-20-16(19)11-21-15-8-7-13(17)10-14(15)18/h7-8,10,12H,3-6,9,11H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

Acetic acid, 2-(2,4-dichlorophenoxy)-, isooctyl ester
Acetic acid, (2,4-dichlorophenoxy)-, isooctyl ester
Isooctyl alcohol, (2,4-dichlorophenoxy)acetate
2,4-Dichlorophenoxyacetic acid isooctyl ester
Isooctyl 2,4-dichlorophenoxyacetate
Silvapron D
Agroxone 5
2,4-D Ester
Agro-D-ester
Esteron

Work with 2,4-D Isooctyl ester

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

2,4-D Isobutyl ester1713-15-171 % similar Butyl (2,4-dichlorophenoxy)acetate94-80-470 % similar Ethyl 2,4-dichlorophenoxyacetate533-23-362 % similar 2,4-D Methyl ester1928-38-758 % similar 2,4-Dichlorophenoxyacetic acid94-75-751 % similar Aminol2008-39-148 % similar 2,4-DB94-82-647 % similar Diisodecyl adipate27178-16-147 % similar

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

Elsewhere

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