Carvacrol methyl ether

Base Information

• Chemical Name: Carvacrol methyl ether
• CAS No.: 6379-73-3
• Molecular Formula: C11H16O
• Molecular Weight: 164.247
• European Community (EC) Number: 228-959-2
• NSC Number: 406512
• UNII: VG90I876VI
• DSSTox Substance ID: DTXSID0047400
• Nikkaji Number: J206.985G
• Wikidata: Q27291819
• Metabolomics Workbench ID: 136633
• ChEMBL ID: CHEMBL464709
• Mol file: 6379-73-3.mol

Synonyms:Carvacrol methyl ether;6379-73-3;Carvacryl methyl ether;Methyl carvacryl ether;5-Isopropyl-2-methylanisole;Methyl carvacrol;2-methoxy-1-methyl-4-(propan-2-yl)benzene;CARVACROLMETHYLETHER;Ether, carvacryl methyl;p-Cymene, 2-methoxy-;Anisole, 5-isopropyl-2-methyl-;2-methoxy-1-methyl-4-propan-2-ylbenzene;p-Cymene-2-ol methyl ether;4-ISOPROPYL-2-METHOXY-1-METHYLBENZENE;Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-;O-methylcarvacrol;2-Methoxy-4-(1-methylethyl)toluene;UNII-VG90I876VI;VG90I876VI;DTXSID0047400;EINECS 228-959-2;NSC 406512;NSC-406512;AI3-03441;Carvacrol Me ether;2-Methoxy-p-cymene;Methyl4-iodosalicylate;O(C)c1cc(ccc1C)C(C)C;SCHEMBL358026;CHEMBL464709;DTXCID8027400;Tox21_303748;5 - isopropyl - 2 - methylanisole;GS2786;MFCD00216689;NSC406512;4-Isopropyl-2-methoxy-1-methylbenzne;AKOS006241758;HY-W049970;NCGC00357053-01;AS-75825;Carvacrol methyl ether, analytical standard;CAS-6379-73-3;CS-0102932;D76334;EN300-109392;Q27291819;Z54854001

Chemical Property of Carvacrol methyl ether

Chemical Property:

• Vapor Pressure: 0.192mmHg at 25°C
• Refractive Index: n20/D 1.505
• Boiling Point: 217.7 °C at 760 mmHg
• Flash Point: 74.2 °C
• PSA: 9.23000
• Density: 0.913 g/cm³
• LogP: 3.12700
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 131

Purity/Quality:

99.9% ^*data from raw suppliers

Carvacrolmethylether ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(C)C)OC
• Uses: Carvacryl Methylether can be used to treat soft and solid tumors and proliferative diseases.

Technology Process of Carvacrol methyl ether

There total 17 articles about Carvacrol methyl ether 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: 100.0%

carvacrol (499-75-2) + methyl iodide (74-88-4) → carvacrol methyl ether (6379-73-3)

Guidance literature:

carvacrol; With sodium hydroxide; In tetrahydrofuran; at 50 ℃; for 1h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 50 ℃; Inert atmosphere;

DOI:10.1039/c0cc05619g

Reference yield: 92.0%

carvacrol (499-75-2) → carvacrol methyl ether (6379-73-3)

Guidance literature:

carvacrol; With sodium hydroxide; Amberlite IRA 400;

methyl halide; In acetone; for 0.583333h; Further stages.;

DOI:10.1080/00397910701354608

Reference yield: 92.0%

carvacrol (499-75-2) → carvacrol methyl ether (6379-73-3)

Guidance literature:

With aluminum oxide; sodium hydroxide; microwave irradiation;

DOI:10.1080/00397910802138785

upstream raw materials:

methanol

carvacrol

dimethyl sulfate

methyl iodide

Downstream raw materials:

p-menth-4-en-2-one

2-methoxyterephthalic acid

tetrabromo-o-cresol

5-isopropyl-4-iodo-2-methyl-anisole

Refernces

• 1、 -. "Phenylimidazole derivative, synthesis method of phenylimidazole derivative and application of phenylimidazole derivative to pesticide". Paragraph 0035. . Retrieved 2019/06/11.
• 2、 Paptchikhine, Alexander,Itto, Kaori,Andersson, Pher G.. "Sequential Birch reaction and asymmetric Ir-catalyzed hydrogenation as a route to chiral building blocks". supporting information; experimental part. p. 3989 - 3991. Retrieved 2011/06/09.