Butyl acetate
CCCCOC(=O)C CopyCopied
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 CopyCopied
DKPFZGUDAPQIHT-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
Butyl acetate [Wiki] [ACD/IUPAC Name]
Acétate de butyle
acetic acid, butyl ester
N-BUTYL ACETATE
110-19-0 [RN]
123-86-4 [RN]
1741921 [Beilstein]
1-ACETOXYBUTANE
1-Butanol acetate; 1-Butanol ethanoate; Butyl acetate; Butyl ethanoate; Ethanoic acid butyl ester
1-butyl acetate
204-658-1 [EINECS]
4-02-00-00143 (Beilstein Handbook Reference) [Beilstein]
acetate de butyle
ACETIC ACID BUTYL ESTER
Acetic acid butylester
acetic acid n-butyl ester
ACETIC ACID,BUTYL ESTER
Butile (acetati di) [Italian]
Butile (acetati di)(ITALIAN) [Italian]
Butyl Acetate [for Spectrophotometry]
Butyl acetate, n-
butyl ester of acetic acid
Butyl ethanoate
Butylacetat [German] [Wiki]
Butylacetaten
Butylazetat
Butyle (acetate de) [French]
Butylester kyseliny octove [Czech]
CH3COO(CH2)3CH3
Essigsaeurebutylester
Essigsaeure-n-butylester
n-Butyl acetate (natural)
n-Butyl acetate [UN1123] [Flammable liquid]
n-Butyl ester of acetic acid
n-butyl ethanoate
n-Butylacetate
Octan n-butylu
乙酸正丁酯 [Chinese]
270687_ALDRICH [DBID]
287725_ALDRICH [DBID]
33201_RIEDEL [DBID]
402842_SIAL [DBID]
442666U_SUPELCO [DBID]
45860_FLUKA [DBID]
496162_ALDRICH [DBID]
537454_ALDRICH [DBID]
73285_FLUKA [DBID]
AI3-00406 [DBID]
BRN 1741921 [DBID]
C12304 [DBID]
CCRIS 2287 [DBID]
HSDB 152 [DBID]
LS-684 [DBID]
NCGC00091573-01 [DBID]
NSC 9298 [DBID]
NSC9298 [DBID]
UN1123 [DBID]
W217409_ALDRICH [DBID]
W217417_ALDRICH [DBID]
ZINC01699905 [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) = 1.85 Log Kow (Exper. database match) = 1.78 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 125.79 (Adapted Stein & Brown method) Melting Pt (deg C): -56.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 11.9 (Mean VP of Antoine & Grain methods) MP (exp database): -78 deg C BP (exp database): 126.1 deg C VP (exp database): 1.15E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3128 log Kow used: 1.78 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 8400 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4329.4 mg/L Wat Sol (Exper. database match) = 8400.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.10E-004 atm-m3/mole Group Method: 3.15E-004 atm-m3/mole Exper Database: 2.81E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.815E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.78 (exp database) Log Kaw used: -1.940 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.720 Log Koa (experimental database): 3.650 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9749 Biowin2 (Non-Linear Model) : 0.9993 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3810 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1782 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8594 Biowin6 (MITI Non-Linear Model): 0.9501 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6090 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): 1.53E+003 Pa (11.5 mm Hg) Log Koa (Exp database): 3.650 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.96E-009 Octanol/air (Koa) model: 1.1E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.07E-008 Mackay model : 1.57E-007 Octanol/air (Koa) model: 8.77E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.6094 E-12 cm3/molecule-sec Half-Life = 2.320 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.846 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.14E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 20.86 Log Koc: 1.319 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.025E-001 L/mol-sec Kb Half-Life at pH 8: 78.232 days Kb Half-Life at pH 7: 2.142 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.671 (BCF = 4.684) log Kow used: 1.78 (expkow database) Volatilization from Water: Henry LC: 0.000281 atm-m3/mole (Henry experimental database) Half-Life from Model River: 3.345 hours Half-Life from Model Lake : 126.9 hours (5.286 days) Removal In Wastewater Treatment: Total removal: 13.47 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 11.58 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 12.4 52.4 1000 Water 34 208 1000 Soil 53.5 416 1000 Sediment 0.0897 1.87e+003 0 Persistence Time: 190 hr
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