33381

Ioxynil-octanoate

PESTANAL^®, analytical standard

• Synonym(s): 3,5-Diiodo-4-hydroxybenzonitrile octanoate
• Empirical Formula (Hill Notation): C₁₅H₁₇I₂NO₂
• CAS Number: 3861-47-0
• Molecular Weight: 497.11
• Beilstein/REAXYS Number: 2756640
• EC Number: 223-375-4
• MDL number: MFCD00129668
• UNSPSC Code: 41116107
• PubChem Substance ID: 329754509
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• product line: PESTANAL^®
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; NMR: suitable; gas chromatography (GC): suitable
• mp: 52-62 °C
• suitability: passes test for identity (NMR)
• application(s): agriculture; cleaning products; cosmetics; environmental; food and beverages; personal care
• format: neat
• SMILES string: CCCCCCCC(=O)Oc1c(I)cc(cc1I)C#N
• InChI: 1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
• InChI key: QBEXFUOWUYCXNI-UHFFFAOYSA-N

Description

General description

Ioxynil-octanoate is a contact herbicide used to control weeds in cereals.

Application

Ioxynil-octanoate may be used as a reference standard to quantify the evaporated content of the analyte in soil samples using simple passive dosimeters, followed by liquid chromatography with diode array detection (LC-DAD).

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Recommended products

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS06,GHS08,GHS09
• signalword: Danger
• hcodes: H301 + H311,H317,H319,H361,H410
• pcodes: P202 - P273 - P280 - P301 + P310 - P302 + P352 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Repr. 2 - Skin Sens. 1
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges