M-Cymene

Base Information

• Chemical Name: M-Cymene
• CAS No.: 535-77-3
• Molecular Formula: C10H14
• Molecular Weight: 134.221
• Hs Code.: 2902909090
• European Community (EC) Number: 208-617-9
• NSC Number: 73975
• UNII: 10ZH8R921S
• DSSTox Substance ID: DTXSID2060206
• Nikkaji Number: J43.515E
• Wikipedia: M-Cymene
• Wikidata: Q27251197
• Metabolomics Workbench ID: 47597
• Mol file: 535-77-3.mol

Synonyms:1-methyl-3-isopropylbenzene;m-cymene

Chemical Property of M-Cymene

Chemical Property:

• Vapor Pressure: 4 mm Hg ( 37.7 °C)
• Melting Point: −64 °C(lit.)
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 175 °C(lit.)
• Flash Point: 47 °C
• PSA: 0.00000
• Density: 0.861 g/mL at 25 °C(lit.)
• LogP: 3.11840
• Solubility.: alcohol: miscible(lit.)
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 94.2

Purity/Quality:

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

m-Cymene ^*data from reagent suppliers

Safty Information:

• Statements: 10

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aromatic Solvents
• Canonical SMILES: CC1=CC(=CC=C1)C(C)C
• Uses: M-CyMene is a pharmaceutical intermediate in laboratory R&D processes.

Technology Process of M-Cymene

There total 97 articles about M-Cymene 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: 49.0%

1-isopropyl-3-methyl-2,5-cyclohexadiene-1-carboxylic acid → m-cymene (535-77-3) + (1S,5R)-1-Isopropyl-5-methyl-6-oxa-bicyclo[3.2.1]oct-2-en-7-one

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1002/anie.200351087

Reference yield: 49.0%

1-isopropyl-3-methyl-2,5-cyclohexadiene-1-carboxylic acid → m-cymene (535-77-3) + C11H16O2 (643749-38-6)

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1002/chem.200901774

Reference yield:

2-(3-methylphenyl)propene (1124-20-5) → m-cymene (535-77-3)

Guidance literature:

With nickel; at 90 ℃; under 88260.9 Torr; Hydrogenation;

upstream raw materials:

2,7-dimethyloctane

carvestrene

1,3,3-trimethyl-2-norbornanone

4-methylisopropylbenzene

Downstream raw materials:

1-tert-butyl-3-isopropyl-5-methyl-benzene

1-isopropyl 3-methyl cyclohexane

isophthalic acid

4-isopropyl-2-methyl-1-nitro-benzene

Refernces

• 1、 Upadhyayula, Sreedevi. "Gas phase toluene isopropylation over high silica mordenite". . p. 613 - 619. Retrieved 2010.
• 2、 Zhou, Yong,?ilková, Nadě?da,Shamzhy, Mariya,Avadhut, Yamini,Hartmann, Martin,?ejka, Ji?í,Opanasenko, Maksym. "Novel approach towards Al-rich AFI for catalytic application". . p. 62 - 68. Retrieved 2019/04/01.