Xanthone

Description

Xanthone · CAS 90-47-1 · C13H8O2. UNII 9749WEV0CA. Vapor Pressure: 0.0000585 [mmHg]; LogP: 3.39.

Identification

CAS Registry Number	90-47-1
PubChem CID	7020
Molecular formula	C13H8O2
IUPAC name	xanthen-9-one
UNII (FDA)	9749WEV0CA

Computed Descriptors

Molecular Weight	196.20
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	196.052429494
Monoisotopic Mass	196.052429494
Topological Polar Surface Area	26.3
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Vapor Pressure	0.0000585 [mmHg]
LogP	3.39

Physical description & handling notes

• Solid; [Merck Index] Off-white powder; [Alfa Aesar MSDS]
• 135.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6021795]
• 139.08 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 136.99 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 137.11 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 149.57 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H301 (97.6%)

Documented Uses

• Used to make xanthydrol and as an ovicide for codling moth eggs (less effective as larvicide); [Merck Index]

Synonyms

XANTHONE; 9H-Xanthen-9-one; 90-47-1; Xanthen-9-one; 9-Xanthenone; Benzophenone oxide; Xanthenone; 9-Oxoxanthene; Genicide; 9-Xanthone; Diphenylene ketone oxide; Dibenzo-gamma-pyrone; 9H-Xanthene, 9-oxo-; DTXSID6021795; 9749WEV0CA; NSC-14978

Frequently Asked Questions

What are the CAS number and molecular formula of Xanthone?

CAS 90-47-1; molecular formula C13H8O2; molecular weight — g/mol.

What other names is Xanthone known by?

XANTHONE, 9H-Xanthen-9-one, 90-47-1, Xanthen-9-one, 9-Xanthenone, Benzophenone oxide.

Is Xanthone classified as hazardous?

Hazard statements reported: H301.

What are the key physical properties of Xanthone?

Vapor Pressure: 0.0000585 [mmHg]; LogP: 3.39.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.