H-101

trans-3′-Hydroxycotinine solution

1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant^®

• Empirical Formula (Hill Notation): C₁₀H₁₂N₂O₂
• CAS Number: 34834-67-8
• Molecular Weight: 192.21
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: certified reference material
• form: liquid
• feature: (Snap-N-Spike^®)
• packaging: ampule of 1 mL
• manufacturer/tradename: Cerilliant^®
• concentration: 1.0 mg/mL in methanol
• technique(s): gas chromatography (GC): suitable; liquid chromatography (LC): suitable
• application(s): forensics and toxicology
• format: single component solution
• storage temp.: −20°C
• SMILES string: CN1[C@H](C2=CN=CC=C2)C[C@@H](O)C1=O
• InChI: 1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1
• InChI key: XOKCJXZZNAUIQN-DTWKUNHWSA-N

Description

General description

Trans-3′-Hydroxycotinine is a major nicotine metabolite excreted in the urine of smokers and users of other tobacco or nicotine products including cigars, chewing tobacco and snuff. This Certified Spiking Solution^® is suitable for use in nicotine testing methods or clinical and diagnostic testing of nicotine biomarkers by LC-MS/MS or GC/MS.

Application

• Wastewater-Based Tobacco Use Estimates: trans-3′-Hydroxycotinine is used as WBE biomarkers to to estimate tobacco use. It has significantly improved wastewater-based tobacco use estimates. This application enhances our understanding of public health trends by providing more accurate measurements of tobacco consumption in populations, using advanced environmental monitoring techniques (Zheng et al., 2023).


• Predicting Nicotine Metabolism: Trans-3′-Hydroxycotinine is utilized in genomic studies to predict nicotine metabolism across different ancestries, which helps in tailoring smoking cessation therapies based on individual genetic profiles.(Baurley et al., 2022).

Legal Information

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany

CERTIFIED SPIKING SOLUTION is a registered trademark of Cerilliant Corporation

Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS02,GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H225,H301 + H311 + H331,H370
• Precautionary Statements: P210 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
• Target Organs: Eyes
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 49.5 °F
• Flash Point(C): 9.7 °C