Product Name: 10-Acetyldithranol
CAS Registry Number: 117568-24-8
Synonyms: 10-(Acetyloxy)-1,8-dihydroxy-9(10H)-anthracenone ; 10-Acetyldithranol ; 9(10H)-Anthracenone, 1,8-dihydroxy-10-(1-oxoethyl)- ; Dithranol, 10-acetyl-
Systematic Name: 9(10H)-Anthracenone, 10-(acetyloxy)-1,8-dihydroxy-
IUPAC Name: (4,5-dihydroxy-10-oxo-9H-anthracen-9-yl) acetate
Molecular Weight: 284.26348 [g/mol]
Molecular Formula: C16H12O5
XLogP3-AA: 2.7
H-Bond Donor: 2
H-Bond Acceptor: 5
Surface Tension: 75.7 dyne/cm
Density: 1.48 g/cm3
Flash Point: 174.6 °C
Enthalpy of Vaporization: 75.09 kJ/mol
Boiling Point: 462.2 °C at 760 mmHg
Vapour Pressure: 3.65E-09 mmHg at 25°C
Following is the molecular structure of 10-Acetyldithranol (CAS NO.117568-24-8) is:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 347mg/kg (347mg/kg) | GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Archives of Toxicology. Vol. 59, Pg. 180, 1986. |
A poison by ingestion. A skin irritant. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
Descriptors computed from structure, you can know some information about 10-Acetyldithranol (CAS NO.117568-24-8) :
Canonical SMILES: CC(=O)OC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
InChI: InChI=1S/C16H12O5/c1-8(17)21-16-9-4-2-6-11(18)13(9)15(20)14-10(16)5-3-7-
12(14)19/h2-7,16,18-19H,1H3
InChIKey: RVNNHFOSBVBNIE-UHFFFAOYSA-N
Exact Mass: 284.068473
MonoIsotopic Mass: 284.068473
Topological Polar Surface Area: 83.8
Heavy Atom Count: 21
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