1-(2,4-Dihydroxyphenyl)ethanone
O=C(c1ccc(O)cc1O)C CopyCopied
InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 CopyCopied
SULYEHHGGXARJS-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1-(2,4-dihydroxyphenyl)ethanone [ACD/IUPAC Name]
2',4'-dihydroxyacetophenone
2,4-Dihydroxyacetophenone
89-84-9 [RN]
Acetophenone, 2',4'-dihydroxy-
Ethanone, 1-(2,4-dihydroxyphenyl)-
Resacetophenone
"2',4'-Dihydroxyacetophenone"
1-(2,4-dihydroxyphenyl)ethan-1-one
1-(2,4-Dihydroxyphenyl)ethanon
1-(2,4-Dihydroxy-phenyl)-ethanone
1282505
1-acetyl-2,4-dihydroxybenzene
1-Acetyl-2,4-dihydroxybenzene; 4-Acetylresorcinol; Resacetophenone
2',4'-Dihydroxyacetophenone4-Acetylresorcinol2,4-Dihydroxyacetophenone
2′,4′-Dihydroxyacetophenone
201-945-3 [EINECS]
4-08-00-01792 (Beilstein Handbook Reference) [Beilstein]
4-acetylresorcinol
Resoacetophenone
Resorcinol, 4-acetyl-
TL8005791
37450_FLUKA [DBID]
AI3-00866 [DBID]
AIDS017971 [DBID]
AIDS-017971 [DBID]
BRN 1282505 [DBID]
C03663 [DBID]
CHEBI:18414 [DBID]
D107409_ALDRICH [DBID]
MFCD00002279 [DBID]
NSC 10883 [DBID]
NSC10883 [DBID]
NSC37559 [DBID]
ZINC00038028 [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) = 1.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 295.81 (Adapted Stein & Brown method) Melting Pt (deg C): 95.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.9E-005 (Modified Grain method) MP (exp database): 146 deg C Subcooled liquid VP: 0.00032 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): 1.507e+004 log Kow used: 1.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.34E-010 atm-m3/mole Group Method: 1.65E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.524E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.49 (KowWin est) Log Kaw used: -8.261 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.751 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9136 Biowin2 (Non-Linear Model) : 0.9014 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9532 (weeks ) Biowin4 (Primary Survey Model) : 3.6854 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5307 Biowin6 (MITI Non-Linear Model): 0.5801 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2398 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0427 Pa (0.00032 mm Hg) Log Koa (Koawin est ): 9.751 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.03E-005 Octanol/air (Koa) model: 0.00138 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00253 Mackay model : 0.00559 Octanol/air (Koa) model: 0.0997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.3820 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.641 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00406 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 123.7 Log Koc: 2.092 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 = -0.393 (BCF = 0.405) log Kow used: 1.49 (estimated) Volatilization from Water: Henry LC: 1.34E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.389E+006 hours (2.246E+005 days) Half-Life from Model Lake : 5.879E+007 hours (2.45E+006 days) Removal In Wastewater Treatment: Total removal: 1.97 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.88 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 0.00278 1.28 1000 Water 29.4 360 1000 Soil 70.5 720 1000 Sediment 0.0695 3.24e+003 0 Persistence Time: 643 hr
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