Propane-d8

Base Information

• Chemical Name: Propane-d8
• CAS No.: 2875-94-7
• Molecular Formula: C3D8
• Molecular Weight: 52.033
• European Community (EC) Number: 689-481-1
• DSSTox Substance ID: DTXSID00182931
• Nikkaji Number: J756.661A
• Wikidata: Q83053655
• Mol file: 2875-94-7.mol

Synonyms:Propane-d8;2875-94-7;1,1,1,2,2,3,3,3-octadeuteriopropane;Propane-d8 in Cylinder;CD3CD2CD3;Propane-d8, 99 atom % D;DTXSID00182931;MFCD00084174;AKOS015913684;J-017252

Chemical Property of Propane-d8

Chemical Property:

• Vapor Pressure: 8.42 atm ( 21.1 °C)
• Melting Point: −188 °C(lit.)
• Boiling Point: −42.1 °C(lit.)
• Flash Point: °C
• PSA: 0.00000
• Density: 0.667g/cm³
• LogP: 1.41630
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 52.112814223
• Heavy Atom Count: 3
• Complexity: 0

Purity/Quality:

99% ^*data from raw suppliers

Propane-d8 99 atom % D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,F+
• Statements: 11-12
• Safety Statements: 16-33-36-38-9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Technology Process of Propane-d8

There total 13 articles about Propane-d8 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:

hexadeuteriopropene (1517-52-8,1560-60-7) → propane-d8 (2875-94-7,349553-90-8) + methane (558-20-3)

Guidance literature:

With vanadium; at -256.16 ℃; Gas matrix; Irradiation;

DOI:10.1021/ic200934r

Reference yield:

propane-d8 (2875-94-7,349553-90-8) + Propane (74-98-6) → propane (74-98-6) + C3(2)H8(1+) (2875-94-7)

Guidance literature:

at 17.9 ℃; Thermodynamic data; Equilibrium constant; ΔG⁰;

DOI:10.1021/ja00408a011

Reference yield:

hydroxycarbene (19710-56-6,63541-95-7,81434-73-3,86549-47-5,96026-45-8,99663-53-3) → propane-d8 (2875-94-7,349553-90-8) + ethane-d6 (1632-99-1) + Ethylene-d4 (683-73-8,25549-98-8) + hexadeuteriopropene (1517-52-8,1560-60-7)

Guidance literature:

With water-d2; at 20 ℃; aq. buffer; Enzymatic reaction;

DOI:10.1002/anie.201100869

upstream raw materials:

propene

propane

cyclopropane

hydroxycarbene

Downstream raw materials:

propane

methane

Ethylene-d4

propane-d8

Refernces

• 1、 Squillacote, Michael E.,Neth, Joann M.. "A Simple High Energy Conformer Trapping Technique. Axial Phenylcyclohexane, NMR Spectra, and Thermodynamics". . p. 198 - 202. Retrieved 1987.
• 2、 Lee, Chi Chung,Tanifuji, Kazuki,Newcomb, Megan,Liedtke, Jasper,Hu, Yilin,Ribbe, Markus W.. "A Comparative Analysis of the CO-Reducing Activities of MoFe Proteins Containing Mo- and V-Nitrogenase Cofactors". . p. 649 - 653. Retrieved 2018/04/16.