1-(4-Hydroxyphenyl)ethanone
O=C(c1ccc(O)cc1)C CopyCopied
InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3 CopyCopied
TXFPEBPIARQUIG-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1-(4-Hydroxyphenyl)ethanon
1-(4-hydroxyphenyl)ethanone [ACD/IUPAC Name]
4-Hydroksyacetofenol [Polish]
4'-hydroxyacetophenone
4-Hydroxyacetophenone
4-mono-hydroxy-acetophenone
Ethanone, 1- (4-hydroxyphenyl)-
ethanone, 1-(4-hydroxyphenyl)-
(4-hydroxyphenyl)ethan-1-one
1-(4-Hydroxyphenyl)Ethan-1-One
1-(4-Hydroxy-phenyl)-ethanone
1-acetyl-4-hydroxybenzene
202-802-8 [EINECS]
4′-Hydroxyacetophenone
4-Acetylphenol
4'-Hydroxy-acetophenone
4'-Hydroxyacetophenone4-Acetylphenol
99-93-4 [RN]
AC6
Acetophenone, 4'-hydroxy-
acetophenone, 4prime-hydroxy-
ACETOPHENONE, PARA-HYDROXY-
Acetophenone, p-hydroxy-
C031335
Methyl p-hydroxyphenyl ketone
p-Acetylphenol
para-Hydroxyacetophenone
Phenol, p-acetyl-
P-HYDROXYACETOPHENONE
p-Hydroxyacetophenone; 4-Hydroxyacetophenone
p-Hydroxyphenyl methyl ketone
piceol
TL8006112
278564_ALDRICH [DBID]
54180_FLUKA [DBID]
AB-131/40179700 [DBID]
AI3-12133 [DBID]
AIDS026793 [DBID]
AIDS-026793 [DBID]
bmse000593 [DBID]
c0694 [DBID]
C10700 [DBID]
MFCD00002359 [DBID]
NSC 3698 [DBID]
NSC3698 [DBID]
USAF KF-15 [DBID]
ZINC00330136 [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) = 1.19 Log Kow (Exper. database match) = 1.35 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 246.89 (Adapted Stein & Brown method) Melting Pt (deg C): 51.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00196 (Modified Grain method) MP (exp database): 109.5 deg C BP (exp database): 147-148 @ 3 mm Hg deg C Subcooled liquid VP: 0.0132 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): 2.322e+004 log Kow used: 1.35 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 9900 mg/L (22 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.9805e+005 mg/L Wat Sol (Exper. database match) = 9900.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.02E-009 atm-m3/mole Group Method: 1.34E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.512E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.35 (exp database) Log Kaw used: -7.380 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.730 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8054 Biowin2 (Non-Linear Model) : 0.8221 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9322 (weeks ) Biowin4 (Primary Survey Model) : 3.6688 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5223 Biowin6 (MITI Non-Linear Model): 0.6028 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0636 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): 1.76 Pa (0.0132 mm Hg) Log Koa (Koawin est ): 8.730 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.7E-006 Octanol/air (Koa) model: 0.000132 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.16E-005 Mackay model : 0.000136 Octanol/air (Koa) model: 0.0104 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.6229 E-12 cm3/molecule-sec Half-Life = 0.349 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.191 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 9.9E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 74.82 Log Koc: 1.874 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 = -0.500 (BCF = 0.3159) log Kow used: 1.35 (expkow database) Volatilization from Water: Henry LC: 1.34E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.098E+005 hours (2.124E+004 days) Half-Life from Model Lake : 5.562E+006 hours (2.317E+005 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.84 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 0.0279 8.38 1000 Water 31.3 360 1000 Soil 68.6 720 1000 Sediment 0.0693 3.24e+003 0 Persistence Time: 625 hr
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