1,3-Dihydroxy-7-methoxy-9H-xanthen-9-one

Modify Date: 2026-08-14 17:59:03

1,3-Dihydroxy-7-methoxy-9H-xanthen-9-one Structure
1,3-Dihydroxy-7-methoxy-9H-xanthen-9-one structure
Common Name 1,3-Dihydroxy-7-methoxy-9H-xanthen-9-one
CAS Number 491-64-5 Molecular Weight 258.22600
Density 1.48g/cm3 Boiling Point 519.4ºC at 760 mmHg
Molecular Formula C14H10O5 Melting Point 241 °C
MSDS N/A Flash Point 205ºC

 Names

Name isogentisin
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.48g/cm3
Boiling Point 519.4ºC at 760 mmHg
Melting Point 241 °C
Molecular Formula C14H10O5
Molecular Weight 258.22600
Flash Point 205ºC
Exact Mass 258.05300
PSA 79.90000
LogP 2.36600
Vapour Pressure 2.09E-11mmHg at 25°C
Index of Refraction 1.68
InChIKey FVIYCYAHKMJVJK-UHFFFAOYSA-N
SMILES COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZD6034500
CHEMICAL NAME :
Xanthen-9-one, 1,3-dihydroxy-7-methoxy-
CAS REGISTRY NUMBER :
491-64-5
BEILSTEIN REFERENCE NO. :
0258402
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H10-O5
MOLECULAR WEIGHT :
258.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
5 ug/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 116,103,1983

 Safety Information

Hazard Codes Xn
HS Code 2932999099

 Synthetic Route

~%

1,3-Dihydroxy-7-methoxy-9H-xanthen-9-one Structure

1,3-Dihydroxy-7...

CAS#:491-64-5

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Literature: Grover et al. Journal of the Chemical Society, 1955 , p. 3982,3984

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 1,3-Dihydroxy-7-methoxy-9H-xanthen-9-oneBioassay

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Name: Growth inhibition of human HepG2 cells after 24 hrs by MTT assay
Source: ChEMBL
Target: HepG2
External Id: CHEMBL4152599
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Growth inhibition of human MDA-MB-231 cells after 24 hrs by MTT assay
Source: ChEMBL
Target: MDA-MB-231
External Id: CHEMBL4152600
Name: Growth inhibition of human MCF7 cells after 24 hrs by MTT assay
Source: ChEMBL
Target: MCF7
External Id: CHEMBL4152601
Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
Name: Cytotoxicity against hamster BHK-21 cells assessed as reduction in cell viability at ...
Source: ChEMBL
Target: BHK-21
External Id: CHEMBL5255360
Name: Antiviral activity against HCoV-OC43 infected in hamster BHK-21 cells assessed as inh...
Source: ChEMBL
Target: Human coronavirus OC43
External Id: CHEMBL5255359
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 Synonyms

1,3-dihydroxy-7-methoxyxanthen-9-one
Xanthen-9-one,1,3-dihydroxy-7-methoxy
1,3-Dihydroxy-7-methoxyxanthon,Isogentisin
1,3-dihydroxy-7-methoxy-xanthen-9-one
1,3-dihydroxy-7-methoxyxanthone
Isogentisin
1,3-Dihydroxy-7-methoxy-9H-xanthen-9-one
1,3-Dihydroxy-7-methoxyxanthon
1,3-Dihydroxy-7-methoxy-xanthen-9-on
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