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88173

Supelco

Di-n-octyl phthalate

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

Synonym(s):

DNOP, Phthalic acid di-n-octyl ester

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About This Item

Empirical Formula (Hill Notation):
C24H38O4
CAS Number:
Molecular Weight:
390.56
Beilstein:
1915994
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

certified reference material
TraceCERT®

Quality Level

product line

TraceCERT®

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

density

0.980 g/mL at 20 °C (lit.)

application(s)

environmental

format

neat

storage temp.

2-8°C

SMILES string

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC

InChI

1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3

InChI key

MQIUGAXCHLFZKX-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.

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 217.3 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 88173 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

Hazard Statements

Precautionary Statements

Hazard Classifications

Aquatic Chronic 4

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109.0 °C - closed cup


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Yujuan Sha et al.
Environmental monitoring and assessment, 124(1-3), 277-287 (2006-12-13)
Samples of water, sediment and suspended particulates were collected from 13 sites in the middle and lower reaches of the Yellow River in China. Phthalic acid esters (PAEs) concentrations in different phases of each sample were determined by Gas Chromatogram
S Oishi
Archives of toxicology, 64(2), 143-147 (1990-01-01)
Although it is well established that high dose administration of di(2-ethylhexyl) phthalate (DEHP) and its monoester metabolite (MEHP) induces severe testicular atrophy in rats, the mechanisms of this testicular injury is not clear. The present experiment was undertaken to examine
Søren T Larsen et al.
Pharmacology & toxicology, 91(5), 264-272 (2003-02-07)
During the last decades, the prevalence of the allergic airway diseases, asthma and rhinitis, has increased world-wide. Introduction of environmental chemicals with adjuvant effect may play a role in this increase. In the present study, the adjuvant effects of di-n-butyl-
B G Lake et al.
Acta pharmacologica et toxicologica, 54(3), 167-176 (1984-03-01)
The oral administration of di-n-octyl phthalate (DNOP), mono-n-octyl phthalate (MNOP), di-(2-ethylhexyl) phthalate (DEHP) and clofibrate to young male Sprague-Dawley rats for 14 days resulted in liver enlargement. Morphological examination of liver sections from DEHP and clofibrate treated rats, but not
A B DeAngelo et al.
Toxicology, 41(3), 279-288 (1986-11-01)
Di-n-octyl phthalate (DOP) is the straight chain isomer of di(2-ethylhexyl) phthalate (DEHP) which is a widely used plasticizer and an environmental contaminant. DEHP is a strong inducer of peroxisome proliferation in rat liver. This is significant since other compounds which

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