4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL Chemical Properties

Boiling point:

348.61°C (rough estimate)

Density 

1.1599 (rough estimate)

refractive index 

1.4830 (estimate)

Flash point:

9℃

storage temp. 

2-8°C

solubility 

Chloroform (Slightly), Methanol (Slightly)

pka

13.54±0.20(Predicted)

color 

Pale Yellow to Yellow

Safety Information

Hazard Codes 

F,T

Risk Statements 

11-23/24/25-39/23/24/25

Safety Statements 

7-16-36/37-45

RIDADR 

UN1230 - class 3 - PG 2 - Methanol, solution

WGK Germany 

3

RTECS 

UT5014750

4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL Usage And Synthesis

Chemical Properties

Oil

Uses

A metabolite of NNK (Cat. #M325750), a tobacco-specific nitrosamine.

Definition

ChEBI: 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol is a member of the class of nitrosamines that is butan-1-ol substituted by a pyridin-3-yl group at position 1 and by a methyl(nitroso)amino group at position 4. It is a major metabolite of nitrosamine 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), which is a carcinogen found in tobacco and responsible for inducing lung cancer in smokers. It has a role as a biomarker, a human urinary metabolite and a carcinogenic agent. It is a member of pyridines, a nitrosamine and a secondary alcohol. It is functionally related to a 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one.

General Description

This certified Snap-N-Spike^? solution is suitable for use as starting material in calibrators and controls for nicotine testing, environmental monitoring, or clinical and diagnostic testing of nicotine biomarkers by LC-MS/MS or GC/MS. NNAL is a metabolite of NNK or 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone. Measurement of NNAL levels in urine is a reliable way to determine NNK exposure in smokers, non-smokers exposed to environmental tobacco smoke (ETS), or users of smokeless tobacco products such as chewing tobacco or snuff.

4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL(76014-81-8)Related Product Information

• 4-(N-METHYL-N-NITROSOAMINO)-1-(3-PYRIDYL-D4)-1-BUTYL ALCOHOL
• 4-(METHYL-D3-NITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL-N-B-D-GLUCURONIDE
• 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTANOL
• 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL-1,2',3',4',5',6'-13C6
• (S)-NNAL, [5-3H]-
• 4-(METHYL-D3-NITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL
• 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol-N-b-D-glucuronide
• 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL