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CAS Number: 5862-47-5


CHEM : 2-methylsulfanylethyl acetate

MOL FOR: C5 H10 O2 S1

MOL WT : 134.19

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 0.95

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 167.21 (Adapted Stein & Brown method)

Melting Pt (deg C): -33.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.79 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 238 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1.364e+004

log Kow used: 0.95 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 13704 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.48E-006 atm-m3/mole (2.52E-001 Pa-m3/mole)

Group Method: 7.39E-007 atm-m3/mole (7.48E-002 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.317E-005 atm-m3/mole (2.348E+000 Pa-m3/mole)

VP: 1.79 mm Hg (source: MPBPVP)

WS: 1.36E+004 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 0.95 (KowWin est)

Log Kaw used: -3.994 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.944

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8578

Biowin2 (Non-Linear Model) : 0.9944

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0428 (weeks )

Biowin4 (Primary Survey Model) : 3.8831 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7563

Biowin6 (MITI Non-Linear Model): 0.8803

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9008

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): 216 Pa (1.62 mm Hg)

Log Koa (Koawin est ): 4.944

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 1.39E-008

Octanol/air (Koa) model: 2.16E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.02E-007

Mackay model : 1.11E-006

Octanol/air (Koa) model: 1.73E-006

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 13.6019 E-12 cm3/molecule-sec

Half-Life = 0.786 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.436 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

8.06E-007 (Junge-Pankow, Mackay avg)

1.73E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 18.54 L/kg (MCI method)

Log Koc: 1.268 (MCI method)

Koc : 24.26 L/kg (Kow method)

Log Koc: 1.385 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 1.208E-001 L/mol-sec

Kb Half-Life at pH 8: 66.387 days

Kb Half-Life at pH 7: 1.818 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.8109 days (HL = 0.01546 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.093 (BCF = 1.239)

Log BAF Arnot-Gobas method (upper trophic) = 0.093 (BAF = 1.239)

log Kow used: 0.95 (estimated)

Volatilization from Water:

Henry LC: 7.39E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 918.9 hours (38.29 days)

Half-Life from Model Lake : 1.012E+004 hours (421.7 days)

Removal In Wastewater Treatment:

Total removal: 1.92 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.79 percent

Total to Air: 0.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.67 18.9 1000

Water 35.2 360 1000

Soil 63.1 720 1000

Sediment 0.0917 3.24e+003 0

Persistence Time: 414 hr

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