42438
Benzyl butyl phthalate
certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
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About This Item
Linear Formula:
2-[CH3(CH2)3O2C]C6H4CO2CH2C6H5
CAS Number:
Molecular Weight:
312.36
Beilstein:
2062204
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24
Recommended Products
grade
certified reference material
TraceCERT®
Quality Level
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
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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.
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: TWCCSN2 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.
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
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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