P-115

PEth 16:0/18:2 solution

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

• Empirical Formula (Hill Notation): C₃₉H₇₂O₈P · NC₁₆H₃₆
• 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(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)([O-])=O.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: 1S/C39H73O8P.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/h13,15,19-20,37H,4-12,14,16-18,21-36H2,1-3H3,(H,42,43);5-16H2,1-4H3/q;+1/p-1/b15-13-,20-19-;/t37-;/m1./s1
• InChI key: BVQILUQKSJVANH-CZRMIBBWSA-M

Description

General description

PEth 16:0/18:2, also known as phosphatidylethanol 16:0/18:2, is a sensitive and specific biomarker for alcohol use and abuse. Since the detection window of PEth 16:0/18:2, in blood is longer than that of ethyl glucuronide (EtG) or ethyl sulfate (EtS) in urine, measurement of blood PEth 16:0/18:2, levels is routinely performed in clinical toxicology and forensic testing applications such as abstinence monitoring and workplace drug testing. PEth 16:0/18:2 has also been investigated as a biomarker to confirm prenatal alcohol exposure (PAE).

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
• 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 2
• Flash Point(F): 49.5 °F - closed cup
• Flash Point(C): 9.7 °C - closed cup