00282

Diheptyl phthalate

analytical standard

• Synonym(s): Phthalic acid diheptyl ester
• Linear Formula: C₆H₄-1,2-[CO₂(CH₂)₆CH₃]₂
• CAS Number: 3648-21-3
• Molecular Weight: 362.50
• UNSPSC Code: 85151701
• NACRES: NA.24
• PubChem Substance ID: 329747029
• EC Number: 222-885-4
• Beilstein/REAXYS Number: 2336623
• MDL number: MFCD00043680

Properties

• Product Name: Diheptyl phthalate, analytical standard
• SMILES string: CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC
• InChI: 1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
• InChI key: JQCXWCOOWVGKMT-UHFFFAOYSA-N
• grade: analytical standard
• assay: ≥97.0% (GC)
• shelf life: limited shelf life, expiry date on the label
• refractive index: n20/D 1.485 (lit.)
• bp: 195 °C/0.04 mmHg (lit.)
• density: 0.988 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; food and beverages; personal care
• format: neat

Description

Application

Diheptyl phthalate may be used as an analytical reference standard for the determination of the analyte in water samples by magnetic solid-phase extraction based on magnetic multi-walled carbon nanotubes followed by gas chromatography-tandem mass spectrometry (GC-MS/MS) and in food samples by liquid chromatography-tandem mass spectrometry (LC-MS/MS).

General description

Diheptyl phthalate belongs to the class of phthalate esters (PAEs), a group of commercially important chemical compounds used as an industrial solvent and plasticizer in polyvinyl chloride (PVC) plastics. PAEs are regarded as ubiquitous environmental contaminants which are toxic to living organisms.

Other Notes

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.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Warning
• hcodes: H315,H319,H335,H361
• pcodes: P202 - P261 - P264 - P302 + P352 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup