88173
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/REAXYS Number:
1915994
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24
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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.
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.
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
hcodes
pcodes
Hazard Classifications
Aquatic Chronic 4
Storage Class
10 - Combustible liquids
wgk_germany
WGK 1
flash_point_f
228.2 °F - closed cup
flash_point_c
109.0 °C - closed cup
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R H Hinton et al.
Human toxicology, 4(3), 261-271 (1985-05-01)
Treatment of rats with hypolipidaemic drugs or with the plasticizer di-2-ethyl hexyl phthalate caused significant alterations in the concentration of certain plasma proteins. Certain proteins showed dose-dependent increases, in other cases the plasma concentrations fell in treated animals. The changes
P Wang et al.
Chemosphere, 72(10), 1567-1572 (2008-06-13)
Phthalic acid esters (PAEs) are used in many branches of industry and are produced in huge amounts throughout the world. An investigation on particulate- and gas-phase distribution of PAEs has been conducted in Nanjing (China). The 12-h daily sampling program
Xueling Wu et al.
Journal of hazardous materials, 176(1-3), 262-268 (2009-12-05)
Two bacterial strains were isolated from activated sludge using mixtures of phthalic acid esters (PAEs) as the sole source of carbon and energy. One of the isolates was identified as Gordonia sp. strain JDC-2 and the other as Arthrobacter sp.
Manori J Silva et al.
Toxicology, 210(2-3), 123-133 (2005-04-21)
Di-n-octyl phthalate (DnOP) is a plasticizer used in polyvinyl chloride plastics, cellulose esters, and polystyrene resins. The metabolism of DnOP results in the hydrolysis of one ester linkage to produce mono-n-octyl phthalate (MnOP), which subsequently metabolizes to form oxidative metabolites.
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
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