Ethanol-2-13C

Base Information

• Chemical Name: Ethanol-2-13C
• CAS No.: 14770-41-3
• Molecular Formula: C₂H₆O
• Molecular Weight: 47.058
• European Community (EC) Number: 687-862-7
• DSSTox Substance ID: DTXSID30480250
• Nikkaji Number: J737.752E
• Wikidata: Q82314909
• Mol file: 14770-41-3.mol

Synonyms:Ethanol-2-13C;14770-41-3;(213C)ethanol;Ethanol-2-(13-C);ETHYL-2-13C ALCOHOL;Ethanol-2-13C (9CI);Ethanol-2-13c(9ci);DTXSID30480250;AKOS015910713;Ethanol-2-13C, 99 atom % 13C;J-008400;Ethanol-2-13C, S & P tested, 99 atom % 13C, 99% (CP)

Chemical Property of Ethanol-2-13C

Chemical Property:

• Melting Point: -130 ºC
• Refractive Index: n20/D 1.364(lit.)
• Boiling Point: 78 ºC
• Flash Point: 48 °F
• PSA: 20.23000
• Density: 0.801 g/mL at 25 °C
• LogP: -0.00140
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 47.045219646
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

99% ^*data from raw suppliers

Ethanol-2-13C solution 99 atom % ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 7-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCO
• Isomeric SMILES: [13CH3]CO
• Uses: Ethanol-2-13C have been used as an internal standard to quantify the formed 2,4-dinitrophenylhydrazine using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS). It can be used for enzymatic oxidation and metabolic flux analyses.

Technology Process of Ethanol-2-13C

There total 6 articles about Ethanol-2-13C which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

carbon dioxide (1111-72-4) + potassium hydrogencarbonate (298-14-6) → ethanol-2-13C (14770-41-3) + [2-13C]acetaldehyde (2188-30-9)

Guidance literature:

In water; at 25 ℃; for 1h; Electrochemical reaction;

DOI:10.1039/d0sc01133a

Reference yield:

(2-13C)acetic acid (1563-80-0) → ethanol-2-13C (14770-41-3)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/ja00336a022

Reference yield:

[13C]methanol (14742-26-8) + carbon dioxide (124-38-9,18923-20-1) → ethanol-2-13C (14770-41-3)

Guidance literature:

With dichlorotricarbonylruthenium(II) dimer; tetracobaltdodecacarbonyl; hydrogen; lithium iodide; at 160 ℃; for 15h; Autoclave; Green chemistry;

DOI:10.1039/c8gc03320j

upstream raw materials:

(2-¹³C)acetic acid

[¹³C]methanol

carbon monoxide

carbon dioxide

Refernces

• 1、 Chen, Bingfeng,Du, Juan,Han, Buxing,Li, Shaopeng,Liu, Huizhen,Liu, Shulin,Xin, Yu. "Selective electrochemical reduction of carbon dioxide to ethanolviaa relay catalytic platform". . p. 5098 - 5104. Retrieved 2020/06/09.
• 2、 Blank, Jan H.,Hembre, Robert,Ponasik, James,Cole-Hamilton, David J.. "Alternative pathways in the ruthenium catalysed hydrogenation of CO to alcohols". . p. 218 - 223. Retrieved 2014/01/06.