| Company Name: |
Sigma-Aldrich |
| Tel: |
021-61415566 800-8193336 |
| Email: |
orderCN@merckgroup.com |
| Company Name: |
BOC Sciences |
| Tel: |
16314854226; +8616314854226 |
| Email: |
inquiry@bocsci.com |
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| | 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol Basic information |
| | 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) | | Fp | 9℃ | | storage temp. | 2-8°C | | solubility | Chloroform (Slightly), Methanol (Slightly) | | pka | 13.54±0.20(Predicted) | | form | liquid | | color | Pale Yellow to Yellow | | Major Application | cleaning products
cosmetics
food and beverages
personal care | | InChI | 1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3 | | InChIKey | OGRXKBUCZFFSTL-UHFFFAOYSA-N | | SMILES | CN(N=O)CCCC(O)C1=CN=CC=C1 |
| 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 | | Storage Class | 11 - Combustible Solids |
| | 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 Preparation Products And Raw materials |
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