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03323

Supelco

Benzo[k]fluoranthene

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

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About This Item

Empirical Formula (Hill Notation):
C20H12
CAS Number:
207-08-9
Molecular Weight:
252.31
Beilstein:
1873745
EC Number:
205-916-6
MDL number:
MFCD00046287
UNSPSC Code:
41116107
PubChem Substance ID:
329747589
NACRES:
NA.24

grade

certified reference material
TraceCERT®

Quality Level

300

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

mp

215-217 °C (lit.)

solubility

95% ethanol: <1 mg/mL at 20 °C
DMSO: <1 mg/mL at 20 °C
H2O: <1 mg/mL at 20 °C
acetone: 1-10 mg/mL at 20 °C
methanol: <1 mg/mL at 20 °C
toluene: 5-10 mg/mL at 20 °C

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

SMILES string

c1ccc2cc-3c(cc2c1)-c4cccc5cccc-3c45

InChI

1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H

InChI key

HAXBIWFMXWRORI-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

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Ion Mobility: TWCCSN2 value of 150.4 Å2 [M+H]+

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 03323 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

Signal Word

Danger

Hazard Statements

H350,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B

Storage Class Code

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

WGK

WGK 3

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF3574
BCBT8791
BCBK1355V
BCBD3128V
BCBD3128

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Petra Booij et al.
Environmental toxicology and chemistry, 30(4), 898-904 (2010-12-31)
In bioassays, exposure concentrations of test compounds are usually expressed as nominal concentrations. As a result of various processes, such as adsorption, degradation, or uptake, the actual freely dissolved concentration of the test compound may differ from the nominal concentration.
Annekatrin Dreyer et al.
Environmental science & technology, 39(11), 3918-3924 (2005-06-30)
To date, studies about historic PAH (polycyclic aromatic hydrocarbons) deposition at a regional scale have rarely been published. To address this research gap, we sampled 17 ombrotrophic peatlands across eastern Canada. The peat cores from hollows were dated with 210Pb
Shan Chen et al.
Environmental science & technology, 42(24), 9431-9436 (2009-01-30)
Japanese medakas (Oryzias latipes) and triolein-embedded cellulose acetate membranes (TECAMs) were exposed simultaneously to benzo[k]fluoranthene (BkF) in the static exposure system containing different concentrations of humic acid (HA). The concentration-response relationships of induced hepatic 7-ethoxysorufin-o-deethylase (EROD) activity were established in
Luqing Pan et al.
Comparative biochemistry and physiology. Toxicology & pharmacology : CBP, 141(3), 248-256 (2005-08-13)
Scallops (Chlamys ferrari) were cultured for 30 days in seawater containing benzo(k)fluoranthene (BkF) at 0.5, 1.0 and 10.0 microg/L. No effects were noted on 7-ethoxyresorufin O-deethylase (EROD) activity in digestive gland at low concentrations (0.5 and 1 microg/L) of BkF
Alberto Modelli et al.
The journal of physical chemistry. A, 110(20), 6482-6486 (2006-05-19)
The gas-phase experimental adiabatic electron affinities (AEAs) of the polycyclic aromatic hydrocarbons (PAHs) anthracene, tetracene, pentacene, chrysene, pyrene, benzo[a]pyrene, benzo[e]pyrene, and fluoranthene are well reproduced using the hybrid density functional method B3LYP with the 6-31+G* basis set, indicating that the
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