P-114

PEth 16:0/18:1 solution

1.0 mg/mL in methanol (as free phosphate), certified reference material, ampule of 1 mL, Cerilliant^®

• Empirical Formula (Hill Notation): C₅₅H₁₀₈NO₈P
• Molecular Weight: 942.42
• UNSPSC Code: 41116107

Properties

• grade: certified reference material
• Quality Level: 300
• form: liquid
• feature: Snap-N-Spike^®/Snap-N-Shoot^®
• packaging: ampule of 1 mL
• manufacturer/tradename: Cerilliant^®
• concentration: 1.0 mg/mL in methanol (as free phosphate)
• technique(s): gas chromatography (GC): suitable; liquid chromatography (LC): suitable
• application(s): forensics and toxicology
• format: single component solution
• storage temp.: −70°C
• SMILES string: CCOP(OC[C@H](OC(CCCCCCCC=CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)([O-])=O.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: 1S/C39H75O8P.C16H36N/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)45-6-3)35-44-38(40)33-31-29-27-25-23-21-18-16-14-12-10-8-5-2;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h19-20,37H,4-18,21-36H2,1-3H3,(H,42,43);5-16H2,1-4H3/q;+1/p-1/b20-19-;/t37-;/m1./s1
• InChI key: QDVSIAATLNPVDB-VYMFHCNISA-M

Description

General description

PEth 16:0/18:1, also known as phosphatidylethanol 16:0/18:1, is a sensitive and specific biomarker for alcohol use and abuse. Since the detection window of PEth 16:0/18:1 in blood is longer than that of ethyl glucuronide (EtG) or ethyl sulfate (EtS) in urine, measurement of blood PEth 16:0/18:1 levels is routinely performed in clinical toxicology and forensic testing applications such as abstinence monitoring and workplace drug testing. PEth 16:0/18:1 has also been investigated as a biomarker to confirm prenatal alcohol exposure (PAE).

Application

• Alcohol consumption biomarker analysis: PEth 16:0/18:1 is used as a biomarker in whole blood and hair for monitoring alcohol use, proving essential in both clinical settings and research studies focused on substance abuse and its physiological impacts (Dumitrascu et al., 2024).


• Diagnostic tool in traffic safety: Its application in dried blood samples from drivers involved in traffic accidents makes PEth 16:0/18:1 crucial for forensic science, aiding in the assessment of alcohol consumption as a factor in accidents (Daglioglu et al., 2022).


• Method development in chromatography: PEth 16:0/18:1 is vital for developing methods to quantify phosphatidylethanol concentrations in novel sampling devices, enhancing the reliability of alcohol screening tests (Jett et al., 2023).


• Advances in lipid chromatography: This compound is instrumental in refining chromatographic techniques to avoid the co-elution of phosphatidylethanols with unwanted phospholipids, improving the accuracy of lipidomics analyses (Maria et al., 2022).


• Clinical biomarker validation: The validation of liquid chromatography tandem mass spectrometry (LC-MS/MS) methods for measuring erythrocyte PEth 16:0/18:1 emphasizes its role in clinical diagnostics, particularly in the accurate and sensitive detection of alcohol intake levels (White et al., 2022).

Legal Information

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

Snap-N-Shoot 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
• signalword: Danger
• hcodes: H225,H301 + H311 + H331,H370
• pcodes: 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: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 49.5 °F - closed cup
• flash_point_c: 9.7 °C - closed cup