Carvacryl ethyl ether

Base Information

• Chemical Name: Carvacryl ethyl ether
• CAS No.: 4732-13-2
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• European Community (EC) Number: 225-238-4
• UNII: 906L430D7R
• DSSTox Substance ID: DTXSID9063584
• Nikkaji Number: J262.418D
• Wikidata: Q27271292
• Metabolomics Workbench ID: 47717
• ChEMBL ID: CHEMBL4439425
• Mol file: 4732-13-2.mol

Synonyms:Carvacryl ethyl ether;4732-13-2;Ethyl carvacrol;2-Ethoxy-p-cymene;Ethyl carvacryl ether;5-Isopropyl-2-methylphenetole;2-ethoxy-1-methyl-4-propan-2-ylbenzene;Carvacrol ethyl ether;FEMA No. 2246;UNII-906L430D7R;Phenetole, 5-isopropyl-2-methyl-;2-Ethoxy-1-methyl-4-(1-methylethyl)benzene;EINECS 225-238-4;Benzene, 2-ethoxy-1-methyl-4-(1-methylethyl)-;906L430D7R;2-ETHOXY-4-ISOPROPYL-1-METHYLBENZENE;CHEMBL4439425;2-ethoxy-1-methyl-4-(propan-2-yl)benzene;Carvacrol, ethyl ether;SCHEMBL356804;2- ETHOXY-PARA-CYMENE;DTXSID9063584;FEMA 2246;BDBM50503626;CARVACRYL ETHYL ETHER [FHFI];1-Ethoxy-2-methyl-5-isopropylbenzene;5 - isopropyl - 2 - methylphenetole;AKOS017265212;5-ISO PROPYL-2-METHYL PHENETOLE;FT-0691655;2-Ethoxy-1-methyl-4-(1-methylethyl)benzene, 9CI;5-[(1-Thioxoethyl)amino]-2-Pyridinecarboxylic acid;Q27271292;BENZENE, 2- ETHOXY-1-METHYL-4-(1-METHYL ETHYL)-

Chemical Property of Carvacryl ethyl ether

Chemical Property:

• Appearance/Colour: Colorless to pale yellow liquid
• Vapor Pressure: 0.0683mmHg at 25°C
• Refractive Index: n20/D 1.4965(lit.)
• Boiling Point: 237.6 °C at 760 mmHg
• Flash Point: 82 °C
• PSA: 9.23000
• Density: 0.908 g/cm³
• LogP: 3.51710
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

Carvacryl ethylether ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C(C)C)C

Technology Process of Carvacryl ethyl ether

There total 9 articles about Carvacryl ethyl 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: 94.0%

carvacrol (499-75-2) → 2-ethoxy-4-isopropyl-1-methylbenzene (4732-13-2)

Guidance literature:

carvacrol; With sodium hydroxide; Amberlite IRA 400;

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

DOI:10.1080/00397910701354608

Reference yield: 94.0%

carvacrol (499-75-2) → 2-ethoxy-4-isopropyl-1-methylbenzene (4732-13-2)

Guidance literature:

With aluminum oxide; sodium hydroxide; microwave irradiation;

DOI:10.1080/00397910802138785

Reference yield: 90.0%

ethyl bromide (74-96-4) + carvacrol (499-75-2) → 2-ethoxy-4-isopropyl-1-methylbenzene (4732-13-2)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 20 ℃; for 10h;

DOI:10.1080/14786419.2017.1419232

upstream raw materials:

ethanol

carvacrol

2-bromo-p-cymene

sodium ethanolate

Downstream raw materials:

tetrabromo-o-cresol

ethoxy-terephthalic acid

Refernces

• 1、 Brotzman, Nicholas,Xu, Yiming,Graybill, Allison,Cocolas, Alexander,Ressler, Andrew,Seeram, Navindra P.,Ma, Hang,Henry, Geneive E.. "Synthesis and tyrosinase inhibitory activities of 4-oxobutanoate derivatives of carvacrol and thymol". supporting information. p. 56 - 58. Retrieved 2018/11/23.
• 2、 Wang, Kaibo,Jiang, Shanshan,Pu, Te,Fan, Liming,Su, Fawu,Ye, Min. "Antifungal activity of phenolic monoterpenes and structure-related compounds against plant pathogenic fungi". . p. 1 - 8. Retrieved 2018/02/06.