Ethanol-13C2

Base Information

• Chemical Name: Ethanol-13C2
• CAS No.: 70753-79-6
• Molecular Formula: C2H6O
• Molecular Weight: 48.047
• European Community (EC) Number: 693-094-3
• DSSTox Substance ID: DTXSID301318065
• Nikkaji Number: J2.177.029I
• Mol file: 70753-79-6.mol

Synonyms:Ethanol-13C2;70753-79-6;Ethyl alcohol-13C2;Ethanol-13c2(9ci);(1,2-13C2)ethanol;DTXSID301318065;MFCD00083950;Ethanol-13C2, 99 atom % 13C;AKOS015913114;Ethanol (1,2-13C2, 99%)

Chemical Property of Ethanol-13C2

Chemical Property:

• Melting Point: -130 °C(lit.)
• Refractive Index: n20/D 1.362(lit.)
• Boiling Point: 78 °C(lit.)
• Flash Point: 48 °F
• PSA: 20.23000
• Density: 0.78 g/cm³
• LogP: -0.00140
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 48.048574481
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

98% ^*data from raw suppliers

Ethanol-13C2 ^*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][13CH2]O

Technology Process of Ethanol-13C2

There total 5 articles about Ethanol-13C2 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) + 18O-labeled water (14797-71-8) → [13C]methanol (14742-26-8) + [13C]ethanol (70753-79-6) + [13C]Carbon monoxide (1641-69-6) + oxygen-18 (32767-18-3)

Guidance literature:

With 3-(3-aminopropyl)-1-methyl-1H-imidazol-3-ium bromide; for 0.5h; Reagent/catalyst; Irradiation; Electrochemical reaction;

DOI:10.1002/cctc.201800190

Reference yield:

carbon dioxide (1111-72-4) + hydrogen (1333-74-0) → [13C]ethanol (70753-79-6)

Guidance literature:

With CuII(HxPO₄)y/Ru-UiO; In neat (no solvent, gas phase); at 150 ℃; for 24h; under 15001.5 Torr; Reagent/catalyst; UV-irradiation;

DOI:10.1021/jacs.9b11443

Reference yield:

carbon dioxide (1111-72-4) → [13C]ethanol (70753-79-6)

Guidance literature:

With water; potassium hydrogencarbonate; under 760.051 Torr; Electrochemical reaction;

DOI:10.1002/anie.201706777

upstream raw materials:

carbon dioxide

¹⁸O-labeled water

hydrogen

Downstream raw materials:

3-[5-(tert-butyloxycarbonyl)pentyl]-4,4'-(1,1',2,2'-[13C])diethoxybenzophenone

Refernces

• 1、 Zeng, Lingzhen,Wang, Zhiye,Wang, Yongke,Wang, Jing,Guo, Ying,Hu, Huihui,He, Xuefeng,Wang, Cheng,Lin, Wenbin. "Photoactivation of Cu Centers in Metal-Organic Frameworks for Selective CO2 Conversion to Ethanol". supporting information. p. 75 - 79. Retrieved 2019/12/30.
• 2、 Nie, Rong,Ma, Wenjie,Dong, Yapeng,Xu, Yanjie,Wang, Jinyuan,Wang, Jianguo,Jing, Huanwang. "Artificial Photosynthesis of Methanol by Mn:CdS and CdSeTe Quantum Dot Cosensitized Titania Photocathode in Imine-Based Ionic Liquid Aqueous Solution". . p. 3342 - 3350. Retrieved 2018/08/24.