1,8-Dihydroxy-9,10-anthraquinone
c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O CopyCopied
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H CopyCopied
QBPFLULOKWLNNW-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,8-Dihydroxy-9,10-anthrachinon [German]
1,8-dihydroxy-9,10-anthraquinone [ACD/IUPAC Name]
9,10-anthracenedione, 1,8-dihydroxy-
dantrona [Spanish] [INN]
dantrone [French] [INN]
dantronum [Latin]
1, 8-Dihydroxyanthrachinon [German]
1,4,5,8-Tetroxyantraquinone
1,8-bis(oxidanyl)anthracene-9,10-dione
1,8-Dihydroxy-9,10-anthracenedione
1,8-dihydroxyanthra-9,10-quinone
1,8-dihydroxyanthracene-9,10-dione
1,8-Dihydroxyanthrachinon [German]
1,8-Dihydroxyanthrachinon
1,8-Dihydroxyanthraquinone
1,8-dioxyanthraquinone
10/2/117
117-10-2 [RN]
2/10/117
204-173-5 [EINECS]
2054727 [Beilstein]
Altan [Wiki]
Anthraquinone, 1,8-dihydroxy-
antrapurol
Bancon
Chrysazin
Chrysazine
danivac
danthro-lax
DANTHRON [Wiki]
Danthron [BAN]
danthrone
Dantron
dantron; dantrona; dantrone; dantronum
dianthon
diaquone
Dionone
Dioxyanthrachinonum
dorbane
dorbanex
Dorbantyl
duolax
Istan [Wiki]
Istin
istizin
laxanorm
laxanthreen
Laxapur
laxipur
laxipurin
LTAN
Modane [Wiki]
Neokutin S
Pastomin
Prugol
Roydan
Scatron D
zwitsalax
AI3-38117 [DBID]
AIDS001375 [DBID]
AIDS-001375 [DBID]
C10312 [DBID]
CCRIS 3529 [DBID]
CHEBI:3682 [DBID]
D108103_ALDRICH [DBID]
DivK1c_000284 [DBID]
EU-0099935 [DBID]
KBio1_000284 [DBID]
KBio2_002230 [DBID]
KBio2_004798 [DBID]
KBio2_007366 [DBID]
KBio3_001479 [DBID]
KBioGR_001944 [DBID]
KBioSS_002230 [DBID]
MLS000069608 [DBID]
NCGC00091367-01 [DBID]
NCI60_041443 [DBID]
NCIMech_000114 [DBID]
NINDS_000284 [DBID]
NSC 38626 [DBID]
NSC 646568 [DBID]
NSC38626 [DBID]
NSC646568 [DBID]
NSC7210 [DBID]
SMR000059018 [DBID]
SPBio_000506 [DBID]
Spectrum_001750 [DBID]
Spectrum2_000603 [DBID]
Spectrum3_000650 [DBID]
Spectrum4_001682 [DBID]
USAF ND-59 [DBID]
ZINC03860369 [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): 7.6E-011 (Modified Grain method) MP (exp database): 280 deg C Subcooled liquid VP: 4.99E-008 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): 3.426 log Kow used: 3.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 255.83 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols 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]: 7.012E-012 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): 6.65E-006 Pa (4.99E-008 mm Hg) Log Koa (Koawin est ): 12.592 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.451 Octanol/air (Koa) model: 0.959 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.942 Mackay model : 0.973 Octanol/air (Koa) model: 0.987 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.8912 E-12 cm3/molecule-sec Half-Life = 0.413 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.957 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.958 (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 0.0847 9.91 1000 Water 12.4 900 1000 Soil 85 1.8e+003 1000 Sediment 2.54 8.1e+003 0 Persistence Time: 1.62e+003 hr
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