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Merck
CN

42438

邻苯二甲酸苄基丁基酯

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

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线性分子式:
2-[CH3(CH2)3O2C]C6H4CO2CH2C6H5
化学文摘社编号:
分子量:
312.36
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
201-622-7
Beilstein/REAXYS Number:
2062204
MDL number:
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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

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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

signalword

Danger

存储类别

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


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S V Fernandez et al.
Toxicologic pathology, 38(1), 110-122 (2009-11-26)
There is growing concern that estrogenic environmental compounds that act as endocrine-disrupting chemicals might potentially have adverse effects on hormone-sensitive organs such as the breast. This concern is further fueled by evidence indicating that natural estrogens, specifically 17beta-estradiol, are important
Wen-Ching Chen et al.
Ecotoxicology and environmental safety, 74(5), 1325-1330 (2011-04-19)
This study examined the effect of benzyl butyl phthalate (BBP), a phthalate ester (PAE) and an endocrine disruptor, on water celery, Ipomoea aquatica Forsk., one of the most popular leaf vegetables in Taiwan. After 28 days of cultivation, treatment with
Lesa L Aylward et al.
Regulatory toxicology and pharmacology : RTP, 55(3), 259-267 (2009-09-16)
Recent efforts worldwide have resulted in a growing database of measured concentrations of chemicals in blood and urine samples taken from the general population. However, few tools exist to assist in the interpretation of the measured values in a health
Raquel Moral et al.
Environmental health : a global access science source, 10(1), 5-5 (2011-01-19)
Environmental estrogens are exogenous estrogen-mimicking compounds that can interfere with endogenous endocrine systems. Several of these endocrine disruptors have been shown to alter normal development and influence tumorigenesis in experimental models. N-butyl benzyl phthalate (BBP), a widely used plasticizer, is
Allan C Just et al.
Environmental health perspectives, 120(10), 1475-1480 (2012-06-27)
Recent cross-sectional studies suggest a link between butylbenzyl phthalate (BBzP) in house dust and childhood eczema. We aimed to evaluate whether concentrations of monobenzyl phthalate (MBzP), the main BBzP metabolite in urine, during pregnancy are associated prospectively with eczema in

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