1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone
O=C2c1cc(cc(O)c1C(=O)c3c2cc(O)cc3O)C CopyCopied
InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 CopyCopied
RHMXXJGYXNZAPX-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone [ACD/IUPAC Name]
1,3,8-trihydroxy-6-methylanthracene-9,10-dione
518-82-1 [RN]
6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-
Emodin
frangula emodin
Frangulic Acid
Rheum Emodin
1,3, 8-Trihydroxy-6-methyl-9,10-anthraquinone
1,3, 8-Trihydroxy-6-methylanthraquinone
1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione
1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione
1,3,8-trihydroxy-6-methylanthra-9,10-quinone
1,3,8-Trihydroxy-6-methylanthraquinone
1,3,8-Trihydroxy-6-methyl-anthraquinone
1,6,8-trihydroxy-3-methylanthracene-9,10-dione
1888141 [Beilstein]
208-258-8 [EINECS]
3-Methyl-1,6, 8-trihydroxyanthraquinone
3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE
4,5,7-Trihydroxy-2-methylanthraquinone
4-08-00-03575 (Beilstein Handbook Reference) [Beilstein]
6-methyl-1,3,8-trihydroxyanthraquinone
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI)
Anthraquinone, 1,3,8-trihydroxy-6-methyl-
Anthraquinone, 1,3,8-trihydroxy-6-methyl- (8CI)
Anthraquinone, 6-methyl-1,3,8-trihydroxy-
Archin
C.I. natural yellow 14
D004642
DXA
EMO
emodol
Frangula-emodin
K00056
Persian Berry Lake
Schuttgelb
45170_FLUKA [DBID]
AI3-38286 [DBID]
AIDS001392 [DBID]
AIDS-001392 [DBID]
BRN 1888141 [DBID]
C.I. 75440 [DBID]
C10343 [DBID]
CCRIS 3528 [DBID]
CHEBI:4782 [DBID]
DivK1c_006428 [DBID]
E7881_SIGMA [DBID]
EU-0100552 [DBID]
HSDB 7093 [DBID]
KBio1_001372 [DBID]
KBio2_002500 [DBID]
KBio2_005068 [DBID]
KBio2_007636 [DBID]
KBio3_001544 [DBID]
KBioGR_002234 [DBID]
KBioSS_002508 [DBID]
Lopac-E-7881 [DBID]
NCGC00015420-01 [DBID]
NCGC00015420-02 [DBID]
NCGC00091540-01 [DBID]
NCI60_003906 [DBID]
NCIMech_000049 [DBID]
NSC 408120 [DBID]
NSC 622947 [DBID]
NSC408120 [DBID]
NSC622947 [DBID]
SPBio_000710 [DBID]
SpecPlus_000332 [DBID]
Spectrum_001954 [DBID]
Spectrum2_000895 [DBID]
Spectrum3_000742 [DBID]
Spectrum4_001757 [DBID]
TNP00318 [DBID]
ZINC03824868 [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) = 4.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 479.69 (Adapted Stein & Brown method) Melting Pt (deg C): 203.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.69E-012 (Modified Grain method) MP (exp database): 257 deg C Subcooled liquid VP: 2.28E-009 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): 2.042 log Kow used: 4.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 53.66 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.26E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.165E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.01 (KowWin est) Log Kaw used: -12.592 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.602 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0346 Biowin2 (Non-Linear Model) : 0.8275 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6513 (weeks-months) Biowin4 (Primary Survey Model) : 3.4639 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4107 Biowin6 (MITI Non-Linear Model): 0.2049 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4590 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): 3.04E-007 Pa (2.28E-009 mm Hg) Log Koa (Koawin est ): 16.602 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.87 Octanol/air (Koa) model: 9.82E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.997 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.5560 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.640 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1332 Log Koc: 3.124 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 = 1.544 (BCF = 34.99) log Kow used: 4.01 (estimated) Volatilization from Water: Henry LC: 6.26E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.537E+011 hours (6.406E+009 days) Half-Life from Model Lake : 1.677E+012 hours (6.989E+010 days) Removal In Wastewater Treatment: Total removal: 30.52 percent Total biodegradation: 0.32 percent Total sludge adsorption: 30.20 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 0.000105 1.28 1000 Water 10.9 900 1000 Soil 86.4 1.8e+003 1000 Sediment 2.64 8.1e+003 0 Persistence Time: 1.89e+003 hr
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