42438

Benzyl butyl phthalate

certified reference material, TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

• Linear Formula: 2-[CH₃(CH₂)₃O₂C]C₆H₄CO₂CH₂C₆H₅
• CAS Number: 85-68-7
• Molecular Weight: 312.36
• Beilstein: 2062204
• EC Number: 201-622-7
• MDL number: MFCD00009440
• UNSPSC Code: 41116107
• PubChem Substance ID: 329756225
• NACRES: NA.24

Properties

• grade: certified reference material; TraceCERT^®
• Quality Level: 300
• vapor density: 10.8 (vs air)
• vapor pressure: 0.16 mmHg ( 150 °C)
• product line: TraceCERT^®
• autoignition temp.: 450 °F
• shelf life: limited shelf life, expiry date on the label
• manufacturer/tradename: Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• refractive index: n20/D 1.54 (lit.)
• density: 1.1 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; food and beverages; personal care
• format: neat
• SMILES string: CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2
• InChI: 1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
• InChI key: IRIAEXORFWYRCZ-UHFFFAOYSA-N

Description

General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Application

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

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Ion Mobility: ^TWCCS_N2 value of 175.9 Å2 [M+Na]⁺

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

^TWCCS measurements are expected to be within 2% of this reference value.

P/N 42438 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

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

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

Safety Information

• Pictograms: GHS08,GHS09
• Signal Word: Danger
• Hazard Statements: H360FD,H410
• Precautionary Statements: P202 - P273 - P280 - P308 + P313 - P391 - P405
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 1B
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113.0 °C - closed cup