3-Methyl-1,8,9-anthracenetriol

Base Information

• Chemical Name: 3-Methyl-1,8,9-anthracenetriol
• CAS No.: 491-59-8
• Molecular Formula: C15H12O3
• Molecular Weight: 240.258
• UNII: 0433FJV3CI
• DSSTox Substance ID: DTXSID1048671
• Nikkaji Number: J1.553I
• Wikidata: Q27247612
• Metabolomics Workbench ID: 126910
• ChEMBL ID: CHEMBL2135835
• Mol file: 491-59-8.mol

Synonyms:3-Methyl-1,8,9-anthracenetriol;491-59-8;3-Methylanthralin;3-methylanthracene-1,8,9-triol;Purified araroba;Chrysophanic acid anthranol;1,8,9-Trihydroxy-3-methylanthracene;1,8,9-Anthracenetriol, 3-methyl-;CCRIS 5597;1,8-Dihydroxy-3-methylanthron;9-hydroxy chrysarobin;3-Methyl-1,8,9-trihydroxyanthracene;BRN 2124735;UNII-0433FJV3CI;AI3-62089;0433FJV3CI;DTXSID1048671;3-Methyl-1,8-dihydroxy-9,10-dihydro-9-oxoanthracen;NCGC00181774-01;4-06-00-07604 (Beilstein Handbook Reference);DTXCID4028597;CAS-491-59-8;Purified goa powder;Chrysophansaureanthranol;SCHEMBL5858623;CHEMBL2135835;Tox21_113041;2C15H12O3;Tox21_113041_1;NCGC00181774-02;LS-20394;LS-187737;FT-0632219;Q27247612

Chemical Property of 3-Methyl-1,8,9-anthracenetriol

Chemical Property:

• Melting Point: 203.7 °C
• Refractive Index: 1.5570 (estimate)
• Boiling Point: 342.97°C (rough estimate)
• PKA: 6.50±0.30(Predicted)
• Flash Point: 232.1oC
• PSA: 60.69000
• Density: 1.1783 (rough estimate)
• LogP: 3.41820
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 306

Purity/Quality:

99%, ^*data from raw suppliers

Chrysarobin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=C3C(=C2)C=CC=C3O)O
• Uses: Chrysarobin was identified as a photolytic decomposition compound. Commonly used in food packaging and adhesives.

Technology Process of 3-Methyl-1,8,9-anthracenetriol

There total 2 articles about 3-Methyl-1,8,9-anthracenetriol 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:

1,8-dihydroxy-3-methylanthracen-9(10H)-one (491-58-7) → 1,8,9-trihydroxy-3-methyl-anthracene (491-59-8)

Guidance literature:

unter Luftabschluss;

Reference yield:

→ 1,8,9-trihydroxy-3-methyl-anthracene (491-59-8)

Guidance literature:

Wurcel v. Rhabarbar, Extraktion mit Isopropanol;

Reference yield: 60.0%

petroleum + 1,8,9-trihydroxy-3-methyl-anthracene (491-59-8) + salicyloyl chloride (1441-87-8) → 1,8,9-tri(2-hydroxybenzoyloxy)-3-methyl-anthracene (42200-28-2)

Guidance literature:

With pyridine; In ethanol; toluene;

upstream raw materials:

1,8-dihydroxy-3-methylanthracen-9(10H)-one

Downstream raw materials:

1,8,9-tri(2-hydroxybenzoyloxy)-3-methyl-anthracene