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ChemicalBook--->CAS DataBase List--->4991-65-5

4991-65-5

4991-65-5 Structure

4991-65-5 Structure
IdentificationMore
[Name]

Tioxolone
[CAS]

4991-65-5
[Synonyms]

6-HYDROXY-1,3-BENZOXANTHIOL-2-ONE
6-HYDROXY-1,3-BENZOXATHIOL-2-ONE
THIOXOLONE
TIOXOLONE
1,3-Benzoxathiol-2-one, 6-hydroxy-
6-hydroxy-3-benzoxathiol-2-one
acnosan(antiseborrheic)
Camyna
component of Psoil
ol110
Stepin
thidoxol
Thioxalone
thioxolon
Thiphen
tioxolon
Trocinate
6-HYDROXY-1,3-BENZOXATHIOL-2-ONE, 98+%
6-Hydroxy-2-oxo-1,3-benzoxathiole
6-Hydroxy-2-oxobenzoxathiole
[EINECS(EC#)]

225-653-0
[Molecular Formula]

C7H4O3S
[MDL Number]

MFCD00005859
[Molecular Weight]

168.17
[MOL File]

4991-65-5.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow to beige powder
[Melting point ]

158-160 °C(lit.)
[Boiling point ]

267.1°C (rough estimate)
[density ]

1.4844 (rough estimate)
[refractive index ]

1.5151 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to yellow
[form ]

A solid
[pka]

8.14±0.20(Predicted)
[color ]

Light yellow to yellow
[Water Solubility ]

95% ethanol: soluble 50mg/mL, clear to very slightly hazy, colorless to yellow
benzene: soluble
diethyl ether: soluble
isopropanol: soluble
propylene glycol: soluble
toluene: soluble
water: insoluble
[Merck ]

9456
[LogP]

1.770 (est)
[CAS DataBase Reference]

4991-65-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Tioxolone(4991-65-5)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

DM2953750
[HS Code ]

2934999090
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Tioxolone(4991-65-5).msds
Hazard InformationBack Directory
[Chemical Properties]

light yellow to beige powder
[Originator]

Acnosan,Unia
[Uses]

6-Hydroxy-1,3-benzoxathiol-2-one was used in the synthesis of heterocycle-phosphor esters having potential antimicrobial activity.
[Uses]

antiseborrhoic
[Definition]

ChEBI: A 1,3-benzoxathiole having a hydroxy substituent at the 6-position.
[Manufacturing Process]

40 g potassium thiocyanate in 50 ml of water are added, while stirring at room temperature, to a solution of 11 g of resorcinol and 50 g of crystallized copper sulfate in 250 ml of water. The black cupric thiocyanate formed becomes colorless after a short time, which indicates that the introduction of thiocyanogen is terminated. The cuprous thiocyanate is removed by filtering with suction and then washed with water; the filtrate is mixed with 50 ml of a 2 N sodium carbonate solution, whereby the imino-thiocarbonate of resorcinol separates in the form of a colorless crystalline body. The yield amounts to 16 g. The new compound which melts at 149°C dissolves very easily in many organic solvents and in mineral acids.
A 10% solution of the imino-thiocarbonate of resorcinol in 10% hydrochloric acid is heated for 15 min on the steam bath. The 6-hydroxy-1,3-benzoxathiol- 2-one (thiocarbonate free from) nitrogen separates, on cooling, in the form of fine crystals melting at 158°C.
[Therapeutic Function]

Antiseborreic, Antifungal, Keratolytic
[General Description]

Antimicrobial and cytostatic properties of 6-hydroxy-1,3-benzoxathiol-2-one has been investigated. Supramolecular structure of 6-hydroxy-1,3-benzoxathiol-2-one has been studied.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Tioxolone(4991-65-5)MS
Tioxolone(4991-65-5)1HNMR
Tioxolone(4991-65-5)13CNMR
Tioxolone(4991-65-5)IR1
Tioxolone(4991-65-5)IR2
Tioxolone(4991-65-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4991-65-5(sigmaaldrich)
[TCI AMERICA]

6-Hydroxy-1,3-benzoxathiol-2-one,>98.0%(LC)(4991-65-5)
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