(2,3-13C2)Oxirane

Base Information

• Chemical Name: (2,3-13C2)Oxirane
• CAS No.: 84508-46-3
• Molecular Formula: C₂H₄O
• Molecular Weight: 46.0312
• European Community (EC) Number: 687-207-5
• DSSTox Substance ID: DTXSID00514718
• Nikkaji Number: J1.217.632E
• Wikidata: Q82375220
• Mol file: 84508-46-3.mol

Synonyms:(2,3-13C2)Oxirane;84508-46-3;Ethylene oxide-13C2;(~13~C_2_)Oxirane;Ethylene oxide(1,2-13c2);DTXSID00514718;AKOS015913162;Ethylene oxide-13C2, >=99 atom % 13C, >=99% (CP), contains hydroquinone as stabilizer

Chemical Property of (2,3-13C2)Oxirane

Chemical Property:

• Melting Point: −111 °C(lit.)
• Refractive Index: n20/D 1.3597(lit.)
• Boiling Point: 10.7 °C(lit.)
• Flash Point: -20°C
• PSA: 12.53000
• Density: 0.859 g/mL at 25 °C
• LogP: 0.01660
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 46.032924418
• Heavy Atom Count: 3
• Complexity: 10.3

Purity/Quality:

98% ^*data from raw suppliers

ETHYLENE OXIDE-13C2 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F+,T
• Statements: 45-46-12-23-36/37/38
• Safety Statements: 53-45-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CO1
• Isomeric SMILES: [13CH2]1[13CH2]O1
• Uses: Ethylene Oxide-13C2 Stab. W/ 0.1% Hydroquinone is labelled Ethlene Oxide (O846980). Ethlene Oxide (O846980) or Oxirane is a colourless and highly flammable compound and used for large-scale chemical synthesis of ethylene glycols, polyester, and polyethylene terephthalate and also used as a disinfectant.

Technology Process of (2,3-13C2)Oxirane

There total 2 articles about (2,3-13C2)Oxirane 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:

[13C2]ethene (51915-19-6) → <1,2-13C2>ethylene oxide (84508-46-3) + (13)C2H4O3 (82138-16-7) + 1,2,3-trioxolane-13C2 (117068-67-4)

Guidance literature:

With ozone; In solid matrix; at -173.1 ℃; Title compound not separated from byproducts;

DOI:10.1021/ja00400a016

Reference yield:

[13C2]ethene (51915-19-6) → <1,2-13C2>ethylene oxide (84508-46-3) + ethane-13C2 (52026-74-1)

Guidance literature:

silver; silica gel;

DOI:10.1021/j100085a033

Reference yield: 70.0%

<1,2-13C2>ethylene oxide (84508-46-3) + 3((C6H5)3P)2IrH2(1+)*PW12O40(3-)={((C6H5)3P)2IrH2}3PW12O40 → 2P(C6H5)3*2(13)C2H4O*Ir(1+)=(P(C6H5)3)2Ir((13)CH2(13)CH2O)2(1+) (120410-78-8)

Guidance literature:

In neat (no solvent); 20 h;

upstream raw materials:

[13C₂]ethene

Downstream raw materials:

2P(C₆H₅)3*2⁽¹³⁾C₂H₄O*Ir⁽¹⁺⁾=(P(C₆H₅)3)2Ir(⁽¹³⁾CH₂⁽¹³⁾CH₂O)2⁽¹⁺⁾

Refernces

• 1、 Kohlmiller, Christopher K.,Andrews, Lester. "Infrared Spectrum of the Primary Ozonide of Ethylene in Solid Xenon". . p. 2578 - 2583. Retrieved 2007/10/02.