1,4-Dihydroxy-9,10-anthraquinone
O=C2c1ccccc1C(=O)c3c2c(O)ccc3O CopyCopied
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H CopyCopied
GUEIZVNYDFNHJU-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,4-Dihydroxy-9,10-anthracene-dione
1,4-Dihydroxy-9,10-anthrachinon
1,4-dihydroxy-9,10-anthraquinone [ACD/IUPAC Name]
1,4-Dihydroxyanthraquinone
9,10-anthracenedione, 1,4-dihydroxy-
1, 4-Dihydroxy-9,10-anthraquinone
1, 4-Dihydroxyanthraquinone
1, 4-Doa
1,4-Dihydroxy-9, 10-anthraquinone
1,4-DIHYDROXY-9,10-ANTHRACENEDIONE
1,4-Dihydroxy-9,10-anthraquinone; Quinizarin; 1,4-Dihydroxyanthraquinone
1,4-dihydroxyanthra-9,10-quinone
1,4-dihydroxyanthracene-9,10-dione
1,4-Dihydroxyanthrachinon
1,4-Dihydroxy-anthraquinone
1,4-dihydroxyanthraquinone, radiacal ion (1-)
1,4-Dioxyanthraquinone
1,4-Doa [Russian]
1914036 [Beilstein]
201-368-7 [EINECS]
81-64-1 [RN]
Anthraquinone, 1,4-dihydroxy-
C034890
Chinizarin
Macrolex Orange GG
Quinizarin
quinizarine
Smoke Orange R
Solvent Orange 86
37480_FLUKA [DBID]
AI3-17616 [DBID]
AIDS001374 [DBID]
AIDS-001374 [DBID]
C.I. 58050 [DBID]
CCRIS 3524 [DBID]
CHEBI:37487 [DBID]
CI 58050 [DBID]
HSDB 5242 [DBID]
NCI60_001089 [DBID]
NSC 15367 [DBID]
NSC 646569 [DBID]
NSC15367 [DBID]
NSC229036 [DBID]
NSC40899 [DBID]
NSC646569 [DBID]
Q906_ALDRICH [DBID]
ZINC00135828 [DBID]
ZINC03847495 [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) = 3.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 433.26 (Adapted Stein & Brown method) Melting Pt (deg C): 181.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.12E-010 (Modified Grain method) MP (exp database): 200 deg C VP (exp database): 2.43E-08 mm Hg at 25 deg C Subcooled liquid VP: 1.31E-006 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.426 log Kow used: 3.94 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 0.0961 mg/L (25 deg C) Exper. Ref: BAUGHMAN,GL & PERENICH,TA (1988) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 255.83 mg/L Wat Sol (Exper. database match) = 0.10 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 : 5.45E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.569E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.94 (KowWin est) Log Kaw used: -8.652 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.592 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8785 Biowin2 (Non-Linear Model) : 0.6245 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7361 (weeks-months) Biowin4 (Primary Survey Model) : 3.5361 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4107 Biowin6 (MITI Non-Linear Model): 0.2603 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3588 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): 0.000175 Pa (1.31E-006 mm Hg) Log Koa (Koawin est ): 12.592 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0172 Octanol/air (Koa) model: 0.959 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.383 Mackay model : 0.579 Octanol/air (Koa) model: 0.987 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.8450 E-12 cm3/molecule-sec Half-Life = 1.086 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.037 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.481 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 507.7 Log Koc: 2.706 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 = 1.492 (BCF = 31.06) log Kow used: 3.94 (estimated) Volatilization from Water: Henry LC: 5.45E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.665E+007 hours (6.938E+005 days) Half-Life from Model Lake : 1.816E+008 hours (7.568E+006 days) Removal In Wastewater Treatment: Total removal: 27.40 percent Total biodegradation: 0.30 percent Total sludge adsorption: 27.10 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 0.014 26.1 1000 Water 11.1 900 1000 Soil 86.6 1.8e+003 1000 Sediment 2.28 8.1e+003 0 Persistence Time: 1.86e+003 hr
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