Chlorcarvacrol

Base Information

Chemical Name:Chlorcarvacrol
CAS No.:5665-94-1
Molecular Formula:C10H13 Cl O
Molecular Weight:184.666
Hs Code.:2908199090
European Community (EC) Number:227-122-9
NSC Number:26130
UNII:5EL163606Q
DSSTox Substance ID:DTXSID40205219
Nikkaji Number:J27.288D
Wikidata:Q27261922
Mol file:5665-94-1.mol

Synonyms:carvasept;chlor-carvacrol;chlorcarvacrol

Suppliers and Price of Chlorcarvacrol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-Chloro-5-isopropyl-2-methylphenol
100mg
$ 90.00

American Custom Chemicals Corporation
4-CHLORO-5-ISOPROPYL-2-METHYLPHENOL 95.00%
5MG
$ 499.08

AK Scientific
Chlorcarvacrol
5g
$ 934.00

Total 27 raw suppliers

Chemical Property of Chlorcarvacrol

Chemical Property:

Vapor Pressure:0.00411mmHg at 25°C
Refractive Index:1.5220 (estimate)
Boiling Point:270.5°C at 760 mmHg
PKA:9.95±0.23(Predicted)
Flash Point:117.4°C
PSA：20.23000
Density:1.111g/cm³
LogP:3.47740
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:184.0654927
Heavy Atom Count:12
Complexity:147

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-5-isopropyl-2-methylphenol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1O)C(C)C)Cl

Technology Process of Chlorcarvacrol

There total 3 articles about Chlorcarvacrol 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: 99.0%

: 499-75-2
carvacrol

: 5665-94-1
4-chloro-5-isopropyl-2-methylphenol

Guidance literature:: With oxygen; lithium chloride; copper dichloride; In acetic acid; at 80 ℃; for 6h; regioselective reaction;
DOI:10.1021/acs.jafc.7b04418