xanthone

CAS No. 90-47-1

Formula: C13H8O2
Basic Info

Xanthone is an organic compound with the molecular formula C13H8O2. It can be prepared by the heating of phenyl salicylate. In 1939, xanthone was introduced as an insecticide and it currently finds uses as ovicide for codling moth eggs and as a larvicide. Xanthone is also used in the preparation of xanthydrol, which is used in the determination of urea levels in the blood.

Formula
C13H8O2
Molecular Weight
196.201
Exact Mass
196.052
LogP
2.9462
PSA
30.21
Synonyms

Xanthone

Genicide

xanthen-9-one

9-Xanthenone

Xanthenone

Benzophenone oxide

9H-Xanthen-9-one

9-Oxoxanthene

Diphenylene ketone oxide

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Properties
Appearance & Physical State
off-white powder
Density
1.277 g/cm3
Boiling Point
349-350ºC (730 mmHg)
Melting Point
174-176ºC
Flash Point
169.8ºC
Refractive Index
1.642
Stability
Stable. Incompatible with strong oxidizing agents.
Safety Info
RTECS
ZD5711000
Safety Statements
S24/25
WGK Germany
3
Risk Statements
R22
HS Code
2932999099
RIDADR
UN 2811 6.1/PG 3
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : nujol mull
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Mass Spectrum Mass
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
5 % Phenyl methyl siloxane
Retention index
1844.
Temperature Control
Method
custom temperature program
Comments
25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
Reference
Yasuhara, A.Shiraishi, H.Nishikawa, M.Yamamoto, T.Uehiro, T.Nakasugi, O.Okumura, T.Kenmotsu, K.Fukui, H.Nagase, M.Ono, Y.Kawagoshi, Y.Baba, K.Noma, Y.Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometryJ. Chromatogr. A1997, 774, 1-2, 321-332.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
Ultra-1
Retention index
1787.
Temperature Control
Method
temperature ramp
Comments
25. m/0.32 mm/0.25 μm, He, 3. K/min; T<sub>start</sub>: 80. C; T<sub>end</sub>: 260. C
Reference
Okumura, T.retention indices of environmental chemicals on methyl silicone capillary columnJournal of Environmental Chemistry (Japan)1991, 1, 2, 333-358.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
Methyl Silicone
Retention index
1775.
Temperature Control
Method
custom temperature program
Comments
25. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) <sup> </sup>20 0C/min -&gt; 160 0C <sup> </sup>5 0C/min -&gt; 210 0C <sup> </sup>10 0C/min -&gt; 300 0C
Reference
Oda, J.Yasuhara, A.Matsunaga, K.Saito, Y.Identification of polycyclic aromatic hydrocarbons of the particulate accumulated in the tunnel duct of freeway and generation of their oxygenated derivativesJpn. J. Toxicol. Environ. Health1998, 44, 5, 334-351.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
Methyl Silicone
Retention index
1822.
Temperature Control
Method
custom temperature program
Comments
25. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) <sup> </sup>20 0C/min -&gt; 160 0C <sup> </sup>5 0C/min -&gt; 210 0C <sup> </sup>10 0C/min -&gt; 300 0C
Reference
Oda, J.Yasuhara, A.Matsunaga, K.Saito, Y.Identification of polycyclic aromatic hydrocarbons of the particulate accumulated in the tunnel duct of freeway and generation of their oxygenated derivativesJpn. J. Toxicol. Environ. Health1998, 44, 5, 334-351.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
Methyl Silicone
Retention index
1815.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Zenkevich, I.G.Contemporary State of Informational Maintenance for Gas Chromatographic Identification of Chlorinated Polycyclic Aromatic CompoundsZh. Ecol. Khim.1994, 3, 2, 111-119.
Toxicity
ACUTE TOXICITY DATA
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Type of Test
LD - Lethal dose
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
>500 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,25,1953
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Intravenous
Species Observed
Rodent - mouse
Dose/Duration
180 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01611

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