Estragole

Base Information

Chemical Name:Estragole
CAS No.:140-67-0
Deprecated CAS:1407-27-8,77525-18-9
Molecular Formula:C10H12O
Molecular Weight:148.205
Hs Code.:2909309090
European Community (EC) Number:205-427-8
NSC Number:404113
UNII:9NIW07V3ET
DSSTox Substance ID:DTXSID0020575
Nikkaji Number:J5.794K
Wikipedia:Estragole
Wikidata:Q419495
Metabolomics Workbench ID:46370
ChEMBL ID:CHEMBL470671
Mol file:140-67-0.mol

Synonyms:4-allylanisole;estragole;methyl chavicol;p-allylanisole

Suppliers and Price of Estragole

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

Total 110 raw suppliers

Chemical Property of Estragole

Chemical Property:

Appearance/Colour:colourless liquid with an aniseed smell
Vapor Pressure:0.21mmHg at 25°C
Melting Point:28-35 °C
Refractive Index:n20/D 1.521(lit.)
Boiling Point:216 °C at 760 mmHg
Flash Point:81.1 °C
PSA：9.23000
Density:0.938 g/cm³
LogP:2.42370
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:148.088815002
Heavy Atom Count:11
Complexity:112

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes: Xn:Harmful;
Statements: R22:;

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Biological Agents -> Plant Oils and Extracts
Canonical SMILES:COC1=CC=C(C=C1)CC=C

Technology Process of Estragole

There total 138 articles about Estragole 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: 70.0%

: 14425-64-0
4-methoxyphenethyl bromide

: 2181-42-2
trimethylsulphonium iodide

: 637-69-4,24936-44-5
4-Methoxystyrene

: 140-67-0
Estragole

Guidance literature:: With n-butyllithium; lithium iodide; In tetrahydrofuran; hexane; from 0 degC to room temp.;
DOI:10.1016/S0040-4039(00)73523-4

Reference yield: 65.0%

: 623-12-1
4-chloromethoxybenzene

: 762-72-1
allyl-trimethyl-silane

: 140-67-0
Estragole

: 100-66-3
methoxybenzene

Guidance literature:: In water; acetonitrile; for 3.58333h; Concentration; Irradiation; Flow reactor;
DOI:10.1002/adsc.201600019

Reference yield: 60.0%

: 104-92-7
1-bromo-4-methoxy-benzene

: 591-87-7
Allyl acetate

: 140-67-0
Estragole

: 2132-80-1
4,4'-Dimethoxybiphenyl

: 100-66-3
methoxybenzene

Guidance literature:: With bromobenzene; zinc dibromide; zinc; acetic acid; cobalt(II) bromide; In acetonitrile; at 20 ℃; for 3h;
DOI:10.1021/ol0340641