2-Methylstyrene

Base Information

• Chemical Name: 2-Methylstyrene
• CAS No.: 611-15-4
• Deprecated CAS: 51434-12-9,9036-57-1
• Molecular Formula: C9H10
• Molecular Weight: 118.178
• Hs Code.: 2902909090
• European Community (EC) Number: 210-256-7
• ICSC Number: 0733
• UN Number: 2618
• UNII: 556UO5CL44
• DSSTox Substance ID: DTXSID2060599
• Nikkaji Number: J43.392F
• Wikidata: Q2805872
• ChEMBL ID: CHEMBL3427716
• Mol file: 611-15-4.mol

Synonyms:1-ethenyl-2-methylbenzene;2-ethenylmethylbenzene;2-vinyltoluene

Chemical Property of 2-Methylstyrene

Chemical Property:

• Melting Point: -69°C
• Boiling Point: 169-171°C
• Flash Point: 58°C
• PSA: 0.00000
• Density: 0.914g/mLat 20°C
• LogP: 2.63800
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 118.078250319
• Heavy Atom Count: 9
• Complexity: 94.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): R20:Harmful by inhalation.; R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environ
• Hazard Codes: R20:Harmful by inhalation.; R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environ
• Statements: R20:Harmful by inhalation.; R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environ
• Safety Statements: S24:Avoid contact with skin.; S61:Avoid release to the environment. Refer to special instructions / Safety data sheets.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Polymers
• Canonical SMILES: CC1=CC=CC=C1C=C
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the nervous system.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. The substance defats the skin, which may cause dryness or cracking. The substance may have effects on the liver and kidneys. This may result in tissue lesions.

Technology Process of 2-Methylstyrene

There total 77 articles about 2-Methylstyrene 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: 95.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 2-methylphenyl aldehyde (529-20-4) → 1-methyl-2-vinyl-benzene (611-15-4)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; at 110 ℃; for 10h;

DOI:10.1002/adsc.201500732

Reference yield: 77.0%

1-methyl-1,3-dihydrobenzothiophen 2,2-dioxide (73357-72-9) → 1-methyl-2-vinyl-benzene (611-15-4)

Guidance literature:

at 600 ℃; under 0.01 Torr; Product distribution; thermolysis at 450 deg C; photolysis and thermolysis of 1,3-dihydrobenzothiophen 2,2-dioxides;

DOI:10.1039/P19810001846

Reference yield: 25.0%

bis-<2-(ethylthio)benzyl> oxalate (345652-13-3) → 1,3-dihydro-1-methylbenzothiophen (94636-81-4) + 2-methyl-2,3-dihydro-benzo[b]thiophene (6165-55-5) + 1-methyl-2-vinyl-benzene (611-15-4) + 1-indene (95-13-6)

Guidance literature:

at 750 ℃; for 1h; under 0.001 Torr;

upstream raw materials:

3-o-tolyl-1,4,5,6-tetrahydro-pyridazine

2-Ethyltoluene

1-O-tolyl-ethanol

2-o-tolylethanol

Downstream raw materials:

3-methoxy-8-methyl-1,4-phenanthrenedione

4-methylbenzo[b]thiophene

2-Ethyltoluene

1-(1,2-dibromo-ethyl)-2-methyl-benzene

Refernces

• 1、 Ashikari, Yosuke,Tamaki, Takashi,Kawaguchi, Tomoko,Furusawa, Mai,Yonekura, Yuya,Ishikawa, Susumu,Takahashi, Yusuke,Aizawa, Yoko,Nagaki, Aiichiro. "Switchable Chemoselectivity of Reactive Intermediates Formation and Their Direct Use in A Flow Microreactor". supporting information. p. 16107 - 16111. Retrieved 2021/10/12.
• 2、 Asano, Yasuhisa,Zheng, Daijun. "Biocatalytic asymmetric ring-opening of dihydroisoxazoles: a cyanide-free route to complementary enantiomers of β-hydroxy nitriles from olefins". supporting information. p. 4930 - 4936. Retrieved 2020/08/25.