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78013

Supelco

4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone

analytical standard

Synonym(s):

4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone, NNK

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About This Item

Empirical Formula (Hill Notation):
C10H13N3O2
CAS Number:
64091-91-4
Molecular Weight:
207.23
MDL number:
MFCD00274580
UNSPSC Code:
41116107
PubChem Substance ID:
329768118
NACRES:
NA.24

Key Documents

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grade

analytical standard

Quality Level

100

assay

≥98.0% (GC)

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
solid phase extraction (SPE): suitable

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

storage temp.

2-8°C

SMILES string

CN(CCCC(=O)c1cccnc1)N=O

InChI

1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3

InChI key

FLAQQSHRLBFIEZ-UHFFFAOYSA-N

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General description

Nitrosamines are chemical compounds that can form during drug manufacturing and may pose health risks, including carcinogenicity.
4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone is commonly employed as a reference compound in analytical chemistry. It is utilized in chromatographic and spectrometric techniques for the detection and quantification of nitrosamines in chemical, pharmaceutical, and environmental matrices.

Application

4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone may be used as an analytical reference standard for the quantification of tobacco-specific nitrosamines in tobacco using gas chromatography.

Analysis Note

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Carc. 2 - Skin Sens. 1

Storage Class

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

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD8854
BCCB1513
BCBZ6123
BCBZ0825
BCBW9982

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Matt S Melvin et al.
ACS omega, 5(28), 17565-17575 (2020-07-28)
Exposure to diacetyl (DA) has been linked to the respiratory condition bronchiolitis obliterans. Previous research has demonstrated that DA and other α-dicarbonyl compounds can be detected in both the e-liquids and aerosols of e-vapor products (EVPs). While some EVP manufacturers
Thomas Thisted et al.
BMC biotechnology, 19(1), 56-56 (2019-08-04)
Smoking and tobacco use continue to be the largest preventable causes of death globally. A novel therapeutic approach has recently been proposed: administration of an enzyme that degrades nicotine, the main addictive component of tobacco, minimizing brain exposure and reducing
Ingrid Elisia et al.
Carcinogenesis, 40(3), 448-460 (2019-03-16)
In previous studies, we found that low-carbohydrate (CHO) diets reduced the incidence of tumors in mice genetically predisposed to cancer. However, because >90% of human cancers arise via carcinogen-induced somatic mutations, we investigated, herein, the role that different types and
Aymeric Monteillier et al.
Scientific reports, 8(1), 14257-14257 (2018-09-27)
Lung cancer is the most lethal cancer in the world. About 80% of lung cancer deaths are linked to tobacco use. As a complement to tobacco control, efficient chemoprevention strategies are needed to tackle lung cancer epidemic. Resveratrol is one
Harald Hundsberger et al.
BMC genomics, 18(1), 450-450 (2017-06-10)
Recombinant peptide chips could constitute a versatile complementation to state-of-the-art in situ (chemical on-chip) synthesis, particle-based printing, or pre-manufactured peptide spotting. Bottlenecks still impeding a routine implementation - from restricted peptide lengths, low diversity and low array densities to high
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