1,2,5,8-Tetrahydroxy-9,10-anthraquinone
O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O CopyCopied
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 CopyCopied
VBHKTXLEJZIDJF-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,2,5,8-Tetrahydroxy-9,10-anthraquinone [ACD/IUPAC Name]
81-61-8 [RN]
9,10-anthracenedione, 1,2,5,8-tetrahydroxy-
Alizarin bordeaux B
Quinalizarin
1,2,5, 8-Tetrahydroxy-9,10-anthraquinone
1,2,5, 8-Tetrahydroxyanthracinon
1,2,5,8-tetrahydroxy-9,10-anthracenedione
1,2,5,8-tetrahydroxyanthra-9,10-quinone
1,2,5,8-tetrahydroxyanthracene-9,10-dione
1,2,5,8-Tetrahydroxyanthracinon
1,2,5,8-Tetrahydroxy-anthraquinone
1,2,5,8-TETRAHYDROXYANTHRAQUINONE
1,4,5,6-TETRAHYDROXYANTHRAQUINONE
1889617 [Beilstein]
201-366-6 [EINECS]
4-08-00-03683 (Beilstein Handbook Reference) [Beilstein]
9, 10-Anthracenedione, 1,2,5,8-tetrahydroxy-
Alizarin Bordeaux BD
Alizarinbordeaux
Alizarinbordeux
Alizarine Bordeaux
Alizarine Bordeaux B
Anthraquinone, 1,2,5,8-tetrahydroxy-
C.I. Mordant Violet 26
Khinalizarin
Mordant Violet 26
Quinalizarine
AIDS001389 [DBID]
AIDS-001389 [DBID]
BRN 1889617 [DBID]
C.I. 58500 [DBID]
CCRIS 5598 [DBID]
CHEBI:37495 [DBID]
DivK1c_000144 [DBID]
KBio1_000144 [DBID]
KBio2_001432 [DBID]
KBio2_004000 [DBID]
KBio2_006568 [DBID]
KBio3_001676 [DBID]
KBioGR_001435 [DBID]
KBioSS_001432 [DBID]
NCI60_004175 [DBID]
NINDS_000144 [DBID]
NSC 144046 [DBID]
NSC 4896 [DBID]
NSC144046 [DBID]
NSC4896 [DBID]
SPBio_001284 [DBID]
Spectrum_000952 [DBID]
Spectrum2_001362 [DBID]
Spectrum3_000778 [DBID]
Spectrum4_000998 [DBID]
ZINC03874832 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 502.93 (Adapted Stein & Brown method) Melting Pt (deg C): 213.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.64E-012 (Modified Grain method) MP (exp database): >275 deg C Subcooled liquid VP: 4.76E-010 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.257 log Kow used: 3.75 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2.58 mg/L (25 deg C) Exper. Ref: BAUGHMAN,GL & PERENICH,TA (1988) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 113.26 mg/L Wat Sol (Exper. database match) = 2.58 Exper. Ref: BAUGHMAN,GL & PERENICH,TA (1988) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Quinone/Hydroquinone Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.43E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.103E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.75 (KowWin est) Log Kaw used: -13.517 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.267 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0949 Biowin2 (Non-Linear Model) : 0.8666 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7782 (weeks ) Biowin4 (Primary Survey Model) : 3.5693 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4276 Biowin6 (MITI Non-Linear Model): 0.2259 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0065 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.35E-008 Pa (4.76E-010 mm Hg) Log Koa (Koawin est ): 17.267 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 47.3 Octanol/air (Koa) model: 4.54E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.1915 E-12 cm3/molecule-sec Half-Life = 0.588 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.056 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1388 Log Koc: 3.142 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.351 (BCF = 22.44) log Kow used: 3.75 (estimated) Volatilization from Water: Henry LC: 7.43E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.3E+012 hours (5.417E+010 days) Half-Life from Model Lake : 1.418E+013 hours (5.91E+011 days) Removal In Wastewater Treatment: Total removal: 20.08 percent Total biodegradation: 0.24 percent Total sludge adsorption: 19.84 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.37e-005 14.1 1000 Water 15.9 360 1000 Soil 82.9 720 1000 Sediment 1.19 3.24e+003 0 Persistence Time: 790 hr
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