42438

Benzyl butyl phthalate

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

• Formule linéaire : 2-[CH₃(CH₂)₃O₂C]C₆H₄CO₂CH₂C₆H₅
• Numéro CAS: 85-68-7
• Poids moléculaire : 312.36
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329756225
• EC Number: 201-622-7
• Beilstein/REAXYS Number: 2062204
• MDL number: MFCD00009440

Propriétés

• Quality Segment: 300
• vapor density: 10.8 (vs air)
• vapor pressure: 0.16 mmHg ( 150 °C)
• product line: TraceCERT^®
• grade: certified reference material, 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 compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)

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

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.

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.

Legal Information

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

Informations sur la sécurité

• pictograms: GHS08,GHS09
• signalword: Danger
• Classe de stockage: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113.0 °C - closed cup
• hcodes: H360Df,H410,EUH380
• pcodes: P201 - P202 - P263 - P280 - P308 + P313 - P405 - P501
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - ED HH 1 - Repr. 1B