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Merck
CN

49578

4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone

analytical standard

Synonym(s):

4-(Methyl-d3-nitrosoamino)-1-(3-pyridinyl)-1-butanone, NNK-d3

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About This Item

Empirical Formula (Hill Notation):
C10D3H10N3O2
CAS Number:
86270-92-0
Molecular Weight:
210.25
NACRES:
NA.24
PubChem Substance ID:
329757479
UNSPSC Code:
41116107
MDL number:
MFCD03425609

Key Documents

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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/i1D3

SMILES string

[2H]C([2H])([2H])N(CCCC(=O)c1cccnc1)N=O

InChI key

FLAQQSHRLBFIEZ-FIBGUPNXSA-N

grade

analytical standard

assay

≥99.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable, solid phase extraction (SPE): suitable

suitability

corresponds for LC-MS

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

mass shift

M+3

storage temp.

2-8°C

Quality Level

100

General description

4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone is a TSNA analytical standard of high-quality for reliable and quantitative analysis of tobacco specific nitrosamines (TSNAs).

Application

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG0048
BCBZ8848
BCBW3537
BCBR4261V

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Atsushi Ishizaki et al.
Analytica chimica acta, 1075, 98-105 (2019-06-15)
A simple and sensitive method, using automated online in-tube solid-phase microextraction (SPME) coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS), was developed for the determination of four tobacco-specific nitrosamines (TSNAs) in mainstream and sidestream smoke of combustion cigarettes and heated tobacco

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