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Merck

42438

Benzyl butyl phthalate

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

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Fórmula lineal:
2-[CH3(CH2)3O2C]C6H4CO2CH2C6H5
Número CAS:
85-68-7
Peso molecular:
312.36
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329756225
EC Number:
201-622-7
Beilstein/REAXYS Number:
2062204
MDL number:
MFCD00009440

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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

SMILES string

CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2

InChI key

IRIAEXORFWYRCZ-UHFFFAOYSA-N

grade

certified reference material, TraceCERT®

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

Quality Level

300

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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.
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: 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.

Legal Information

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

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Danger

Clase de almacenamiento

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

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - ED HH 1 - Repr. 1B

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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Hongyuan Yan et al.
The Analyst, 135(10), 2585-2590 (2010-08-18)
A simple and rapid sample pretreatment procedure based on ultrasound-assisted dispersive liquid-liquid microextraction is proposed for the determination of four phthalate esters (dibutyl phthalate, butyl benzyl phthalate, diisooctyl phthalate, dioctyl phthalate) in bottled water samples using gas chromatography-flame ionization detection.
Rosario Planelló et al.
Aquatic toxicology (Amsterdam, Netherlands), 105(1-2), 62-70 (2011-06-21)
In this work, the effects of butyl benzyl phthalate (BBP) and di(2-ethylhexyl) phthalate (DEHP), two of the most extensively used phthalates, were studied in Chironomus riparius under acute short-term treatments, to compare their relative toxicities and identify genes sensitive to
Susan Sumner et al.
Journal of applied toxicology : JAT, 29(8), 703-714 (2009-09-05)
This study was conducted to evaluate the use of metabolomics for improving our ability to draw correlations between early life exposures and reproductive and/or developmental outcomes. Pregnant CD rats were exposed by gavage daily during gestation to vehicle or to
Pei-Shan Liu et al.
Toxicology and applied pharmacology, 244(3), 308-314 (2010-02-02)
Butyl benzyl phthalate (BBP), an endocrine disruptor present in the environment, exerts its genomic effects via intracellular steroid receptors and elicits non-genomic effects by interfering with membrane ion-channel receptors. We previously found that BBP blocks the calcium signaling coupled with
Subhankar Chatterjee et al.
Applied microbiology and biotechnology, 87(1), 61-73 (2010-04-17)
Butyl benzyl phthalate (BBP), an aryl alkyl ester of 1,2-benzene dicarboxylic acid, is extensively used in vinyl tiles and as a plasticizer in PVC in many commonly used products. BBP, which readily leaches from these products, is one of the
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