Product Name

  • Name

    1,2,5,8-Tetrahydroxyanthraquinone

  • EINECS 201-366-6
  • CAS No. 81-61-8
  • Article Data10
  • CAS DataBase
  • Density 1.781 g/cm3
  • Solubility 2.586mg/L(25 oC)
  • Melting Point >275°
  • Formula C14H8O6
  • Boiling Point 517.1 °C at 760 mmHg
  • Molecular Weight 272.214
  • Flash Point 280.6 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 81-61-8 (1,2,5,8-Tetrahydroxyanthraquinone)
  • Hazard Symbols Xn,N
  • Synonyms Khinalizarin;1,2,5,8-Tetrahydroxy-9,10-anthraquinone;9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-;Quinalizarin;1,2,5, 8-Tetrahydroxy-9,10-anthraquinone;Alizarinbordeux;9, 10-Anthracenedione, 1,2,5,8-tetrahydroxy-;1,2,5,8-Tetrahydroxy-9,10-anthracenedione;9,10-Anthracenedione,1,2,5,8-tetrahydroxy-;1,2,5,8-Tetrahydroxyanthracinon;Anthraquinone, 1,2,5,8-tetrahydroxy-;Alizarinbordeaux;Alizarin Bordeaux BD;Alizarine Bordeaux;4-08-00-03683 (Beilstein Handbook Reference);1,2,5,8-tetrahydroxyanthracene-9,10-dione;1,4,5,6-Tetrahydroxyanthraquinone;1,2,5, 8-Tetrahydroxyanthracinon;C.I. Mordant Violet 26;Alizarine Bordeaux B;1,2,5,8-Tetrahydroxy-9,10-anthra-cenedione;9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-(9CI);1,2,5,8-tetrahydroxyanthracene-9,...;C.I. 58500;Mordant Violet 26;Quinalizarine;
  • PSA 115.06000
  • LogP 1.28440

1,2,5,8-Tetrahydroxyanthraquinone Consensus Reports

Reported in EPA TSCA Inventory.

1,2,5,8-Tetrahydroxyanthraquinone Specification

The 1,2,5,8-Tetrahydroxyanthraquinone, with the CAS registry number 81-61-8, is also known as 1,2,5,8-Tetrahydroxy-9,10-anthracenedione. It belongs to the product category of Miscellaneous. Its EINECS registry number is 201-366-6. This chemical's molecular formula is C14H8O6 and molecular weight is 272.20972. Its IUPAC name is called 1,2,5,8-tetrahydroxyanthracene-9,10-dione. This chemical's classification code is Mutation data. The product should be sealed and stored in dry place. This chemical can be used in the determination of trace beryllium, magnesium, calcium, aluminum, lanthanum, thorium, cerium, praseodymium, neodymium (Nd), zirconium and boron.

Physical properties of 1,2,5,8-Tetrahydroxyanthraquinone: (1)ACD/LogP: 5.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.03; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 3623.04; (6)ACD/BCF (pH 7.4): 56.44; (7)ACD/KOC (pH 5.5): 11171.68; (8)ACD/KOC (pH 7.4): 174.03; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.814; (13)Molar Refractivity: 66.19 cm3; (14)Molar Volume: 152.7 cm3; (15)Surface Tension: 110.8 dyne/cm; (16)Density: 1.781 g/cm3; (17)Flash Point: 280.6 °C; (18)Enthalpy of Vaporization: 81.91 kJ/mol; (19)Boiling Point: 517.1 °C at 760 mmHg; (20)Vapour Pressure: 2.59E-11 mmHg at 25°C.

Uses of 1,2,5,8-Tetrahydroxyanthraquinone: it can be used to produce 1,2,5,8-tetrakis-benzyloxy-anthraquinone with bromomethyl-benzene by heating. This reaction will need reagent Cs2CO3 and solvents acetone, dimethylformamide with reaction time of 24 hours. The yield is about 66%.

1,2,5,8-Tetrahydroxyanthraquinone can be used to produce 1,2,5,8-tetrakis-benzyloxy-anthraquinone with bromomethyl-benzene by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O
(2)InChI: InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
(3)InChIKey: VBHKTXLEJZIDJF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 36, 1953.

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