Methallyl alcohol

Base Information

• Chemical Name: Methallyl alcohol
• CAS No.: 513-42-8
• Molecular Formula: C4H8O
• Molecular Weight: 72.1069
• Hs Code.: 29052900
• European Community (EC) Number: 208-161-0
• NSC Number: 404204,30674
• UN Number: 2614
• UNII: H2T2UK4JAP
• DSSTox Substance ID: DTXSID4060155
• Nikkaji Number: J3.640D
• Wikidata: Q72488865
• Mol file: 513-42-8.mol

Synonyms:2-methylallyl alcohol

Chemical Property of Methallyl alcohol

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 9.15mmHg at 25°C
• Melting Point: -50 °C
• Refractive Index: 1.412
• Boiling Point: 116.3 °C at 760 mmHg
• PKA: 14.49±0.10(Predicted)
• Flash Point: 34.7 °C
• PSA: 20.23000
• Density: 0.829 g/cm³
• LogP: 0.55480
• Storage Temp.: Flammables area
• Water Solubility.: 11 g/100 mL
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 72.057514874
• Heavy Atom Count: 5
• Complexity: 38.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-2-propen-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36-37/39-16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CC(=C)CO
• Uses: 2-Methyl-2-propen-1-ol (MePro) attaches to hemicellulose acetylated galactoglucomannan (AcGGM) backbone providing it with pendant sites that allow subsequent cross-linking and hydrogel formation.

Technology Process of Methallyl alcohol

There total 67 articles about Methallyl alcohol 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: 99.6%

3-Chloro-2-methylpropene (563-47-3) → 3-hydroxy-2-methyl-1-propene (513-42-8)

Guidance literature:

With sodium hydrogencarbonate; acrylonitrile; hydroquinone; In water; at 40 - 67 ℃; for 5.5h; Reagent/catalyst; Temperature;

Reference yield: 95.33%

2-methylpropenal (78-85-3,25120-30-3) + cyclohexanol (108-93-0) → cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 3-hydroxy-2-methyl-1-propene (513-42-8)

Guidance literature:

With TEMPOL; SnO₂#Nb₂O₅; at 90 ℃; for 10h; under 3000.3 Torr; Inert atmosphere;

Reference yield: 95.0%

methallyl formate (820-57-5) → formamide (77287-34-4,77287-35-5,60100-09-6) + 3-hydroxy-2-methyl-1-propene (513-42-8)

Guidance literature:

With aluminum oxide; ammonia; at 0 - 5 ℃; Gas phase; Large scale;

upstream raw materials:

2,5-dimethyl-3,4-dihydro-2H-pyran-2-methanol

2-methylpropenal

2-methyl-3-bromo-1-propene

isopropenylmethyl ether

Downstream raw materials:

γ-pyrrolidino-isobutyl alcohol

β-Methyl-piperazin-1-propanol

γ-(4-methyl-piperazino)-isobutyl alcohol

phenylcarbamic acid 2-methyl-allyl ester

Refernces

• 1、 Chen, Minda,Dolge, Kevin,Gebre, Mebatsion,Heintz, Patrick,Huang, Wenyu,Jing, Dapeng,Lamkins, Andrew,Liu, Fudong,Ordonez, Claudio,Qi, Long,Shoemaker, Daniel P.,Wang, Bin,Yan, Yu,Zhang, Biying. "Thermal Unequilibrium of PdSn Intermetallic Nanocatalysts: From In Situ Tailored Synthesis to Unexpected Hydrogenation Selectivity". . p. 18309 - 18317. Retrieved 2021.
• 2、 Ueshima, Michio,Shimasaki, Yuuji. "Regioselective Reduction of α,β-Unsaturated Carbonyl Compounds to Allylic Alcohols by Vapor Phase Hydrogen Transfer Reaction over MgO-B2O3 Catalyst". . p. 1345 - 1348. Retrieved 1992.
• 3、 Mupparapu, Nagaraju,Lin, Yu-Hsin Cindy,Kim, Tae Ho,Elshahawi, Sherif I.. "Regiospecific Synthesis of Calcium-Independent Daptomycin Antibiotics using a Chemoenzymatic Method". supporting information. p. 4176 - 4182. Retrieved 2021/02/01.
• 4、 -. "METHOD FOR PREPARING 2-METHALLYL ALCOHOL". Paragraph 0036-0053. . Retrieved 2021/06/09.