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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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关于此项目

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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Quality Segment

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, chromatography: 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

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


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象形图

Health hazardEnvironment

警示词

Danger

存储类别

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

闪点 (F)

235.4 °F - closed cup

闪点 (°C)

113.0 °C - closed cup

危险代码

Hazard Classifications

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



历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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