Xanthorrhizol

Base Information

Chemical Name:Xanthorrhizol
CAS No.:30199-26-9
Molecular Formula:C₁₅H₂₂O
Molecular Weight:218.339
Hs Code.:
European Community (EC) Number:250-090-2
DSSTox Substance ID:DTXSID20184290
Nikkaji Number:J19.206F
Wikidata:Q72470562
Metabolomics Workbench ID:135885
ChEMBL ID:CHEMBL460033
Mol file:30199-26-9.mol

Synonyms:xanthorrhizol;xanthorrizol

Suppliers and Price of Xanthorrhizol

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

Adipogen Life Sciences
Xanthorrhizol ≥97%(NMR)
1 mg
$ 160.00

Cayman Chemical
Xanthorrhizol ≥97%
1mg
$ 109.00

TRC
Xanthorrhizol
5mg
$ 500.00

Medical Isotopes, Inc.
Xanthorrhizol
5 mg
$ 860.00

Medical Isotopes, Inc.
Xanthorrhizol
1 mg
$ 590.00

Total 22 raw suppliers

Chemical Property of Xanthorrhizol

Chemical Property:

Vapor Pressure:0.00011mmHg at 25°C
Refractive Index:1.522
Boiling Point:326.9 °C at 760 mmHg
PKA:10.34±0.10(Predicted)
Flash Point:147.2 °C
PSA：20.23000
Density:0.948 g/cm³
LogP:4.55050
Storage Temp.:−20°C
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:218.167065321
Heavy Atom Count:16
Complexity:228

Purity/Quality:

98%Min ^*data from raw suppliers

Xanthorrhizol ≥97%(NMR) ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 60
Safety Statements: 53-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)C(C)CCC=C(C)C)O
Isomeric SMILES:CC1=C(C=C(C=C1)[C@H](C)CCC=C(C)C)O
Uses Xanthorrhizol is a nautral sesquiterpenoid from the rhizome of Curcuma xanthorrhiza that induces apoptosis and growth arrest in HCT116 human colon cancer cells.

Technology Process of Xanthorrhizol

There total 28 articles about Xanthorrhizol 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: 91.0%

: 30199-27-0
(R)-2-methoxy-1-methyl-4-(6-methylhept-5-en-2-yl)benzene

: 59684-62-7,97372-52-6,137881-42-6,30199-26-9
(R)-(-)-xanthorrhizol

Guidance literature:: (R)-2-methoxy-1-methyl-4-(6-methylhept-5-en-2-yl)benzene; With sodium β-(diethyalmino)ethylmercaptide; In N,N-dimethyl-formamide; for 10h; Inert atmosphere; Reflux;

With hydrogenchloride; In water; N,N-dimethyl-formamide; Inert atmosphere;
DOI:10.1002/anie.201107802

Reference yield: 47.0%

: 915301-61-0
2-methyl-5-((R)-6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol

: 59684-62-7,97372-52-6,137881-42-6,30199-26-9
(R)-(-)-xanthorrhizol

Guidance literature:: 2-methyl-5-((R)-6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol; With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -78 - 20 ℃; for 5.5h;

With methanesulfonyl chloride; triethylamine; In dichloromethane; 0 deg C to rt then reflux 7 h;

With potassium hydroxide; In methanol; for 7h; Heating;
DOI:10.1016/j.tetlet.2006.11.135