Methyl hydroperoxide

Base Information

• Chemical Name: Methyl hydroperoxide
• CAS No.: 3031-73-0
• Molecular Formula: CH4 O2
• Molecular Weight: 48.0416
• Hs Code.: 2909600000
• DSSTox Substance ID: DTXSID10184401
• Nikkaji Number: J329.694F
• Wikipedia: Methyl hydroperoxide,Methyl_hydroperoxide
• Wikidata: Q83055323
• Mol file: 3031-73-0.mol

Synonyms:Methyl hydroperoxide;hydroperoxymethane;3031-73-0;CCRIS 4486;CH3OOH;methanol oxide;Hydroperoxide, methyl;Hydroperoxide, methyl(9CI);DTXSID10184401;LS-188296;FT-0774948

Chemical Property of Methyl hydroperoxide

Chemical Property:

• Melting Point: -72°C
• Refractive Index: 1.3290 (estimate)
• Boiling Point: 78.1°Cat760mmHg
• PKA: 11.25±0.10(Predicted)
• Flash Point: 1.1°C
• PSA: 29.46000
• Density: 0.982g/cm³
• LogP: 0.10580
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 48.021129366
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Safety Statements: A powerful oxidizer. Probably an irritant to the eyes, skin, and muco"> PEROXIDES, INORGANIC; PEROXIDES, ORGANIC." target="_blank">A powerful oxidizer. Probably an irritant to the eyes, skin, and muco

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COO

Technology Process of Methyl hydroperoxide

There total 57 articles about Methyl hydroperoxide 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:

methyl isocyanate (624-83-9) → methyl hydroperoxide (3031-73-0) + cyanide(1-) (57-12-5) + cyanate (71000-82-3) + C2H3NO2(1-)

Guidance literature:

With hydroperoxide anion; In gaseous matrix; at 26.9 ℃; Rate constant; Product distribution; in a flowing afterglow system (flow rector affixed to a quadrupole mass spectrometer);

DOI:10.1139/v86-175

Reference yield:

methane (34557-54-5,27936-85-2) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + formic acid (64-18-6) + methyl hydroperoxide (3031-73-0)

Guidance literature:

With 2-pyrazylcarboxylic acid; air; dihydrogen peroxide; [n-Bu₄N]VO₃; In acetonitrile; at 23 - 75 ℃; Product distribution; Mechanism; oxidation in glass-lined stainless steel autoclave;

DOI:10.1016/S0040-4020(97)00080-X

Reference yield:

methane (34557-54-5,27936-85-2) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + methyl hydroperoxide (3031-73-0)

Guidance literature:

With 2-pyrazylcarboxylic acid; dihydrogen peroxide; [Fe2(HPTB)(μ-OH)(NO3)2](NO3)2*CH3OH*2H2O; In acetonitrile; at 25 ℃; under 67505.4 Torr; Product distribution;

DOI:10.1016/S0040-4020(02)01182-1

upstream raw materials:

methoxyl radical

methylperoxy radical

methane

(Z)-azomethane

Downstream raw materials:

formaldehyd

methylperoxy radical

hydroperoxymethyl radical

quinhydrone

Refernces

• 1、 Hasson, Alam S.,Tyndall, Geoffrey S.,Orlando, John J.. "A product yield study of the reaction of HO2 radicals with ethyl peroxy (C2H5O2), acetyl peroxy (CH3C(O)O2), and acetonyl peroxy (CH3C(O)CH2O2) radicals". . p. 5979 - 5989. Retrieved 2004.
• 2、 Sun, Chenghua,Xu, Guowang,Xu, Yongjun,Yu, Aimin. "Selective oxidation of methane to methanol using AuPd@ZIF-8". . . Retrieved 2021.
• 3、 Sahetchian, K. A.,Heiss, A.,Rigny, R.. "Formation of Molecular Hydrogen by Thermal Decomposition of n-Dialkyl Peroxides in Oxygen". . p. 2382 - 2386. Retrieved 1987.
• 4、 Wu, Bo,Yang, Ruoou,Shi, Lei,Lin, Tiejun,Yu, Xing,Huang, Min,Gong, Kun,Sun, Fanfei,Jiang, Zheng,Li, Shenggang,Zhong, Liangshu,Sun, Yuhan. "Cu single-atoms embedded in porous carbon nitride for selective oxidation of methane to oxygenates". . p. 14677 - 14680. Retrieved 2020.
• 5、 Lightfoot, P. D.,Veyret, B.,Lesclaux, R.. "Flash Photolysis Study of the CH3O2 + HO2 Reaction between 248 to 573 K". . p. 708 - 714. Retrieved 1990.
• 6、 Battin-Leclerc, Frederique,Herbinet, Olivier,Glaude, Pierre-Alexandre,Fournet, Rene,Zhou, Zhongyue,Deng, Liulin,Guo, Huijun,Xie, Mingfeng,Qi, Fei. "Experimental confirmation of the low-temperature oxidation scheme of alkanes". . p. 3169 - 3172. Retrieved 2010.
• 7、 Tyndall,Wallington,Ball. "FTIR product study of the reactions CH3O2 + CH3O2 and CH3O2 + O3". . p. 2547 - 2554. Retrieved 1998.
• 8、 Gray. "-". . p. 3150,3152. Retrieved 1952.
• 9、 Kan, Charles S.,Calvert, Jack G.,Shaw, John H.. "Reactive Channels of the CH3O2-CH3O2 Reaction". . p. 3411 - 3417. Retrieved 1980.
• 10、 Gong, Zhuyu,Liu, Huifen,Luo, Lei,Ma, Jiani,Tang, Junwang,Xing, Jialiang,Xu, Youxun. "Binary Au–Cu Reaction Sites Decorated ZnO for Selective Methane Oxidation to C1 Oxygenates with Nearly 100% Selectivity at Room Temperature". supporting information. p. 740 - 750. Retrieved 2022/01/03.