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CAS Number: 61276-17-3

SMILES : c1cc(O)c(O)cc1CCOC2C(O)C(OC3OC(C)C(O)C(O)C3O)C(OC(=O)C=Cc4cc(O)c(O)cc

4)C(CO)O2

CHEM : Acteoside

MOL FOR: C29 H36 O15

MOL WT : 624.60

------------------------------ EPI SUMMARY (v4.10) --------------------------

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

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

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

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

Physical Property Inputs:

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 0.83

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

Boiling Pt (deg C): 876.28 (Adapted Stein & Brown method)

Melting Pt (deg C): 349.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.33E-028 (Modified Grain method)

VP (Pa, 25 deg C) : 4.43E-026 (Modified Grain method)

Subcooled liquid VP: 1.7E-024 mm Hg (25 deg C, Mod-Grain method)

: 2.27E-022 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 82.99

log Kow used: 0.83 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Acrylates

Phenols, Poly

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

Bond Method : 7.56E-041 atm-m3/mole (7.66E-036 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

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

HLC: 3.298E-030 atm-m3/mole (3.341E-025 Pa-m3/mole)

VP: 3.33E-028 mm Hg (source: MPBPVP)

WS: 83 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.83 (KowWin est)

Log Kaw used: -38.510 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 39.340

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5465

Biowin2 (Non-Linear Model) : 0.0033

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8749 (weeks )

Biowin4 (Primary Survey Model) : 3.8741 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4958

Biowin6 (MITI Non-Linear Model): 0.0019

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4911

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): 2.27E-022 Pa (1.7E-024 mm Hg)

Log Koa (Koawin est ): 39.340

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

Mackay model : 1.32E+016

Octanol/air (Koa) model: 5.37E+026

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 227.6632 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 230.3232 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 0.564 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 0.557 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 1.091 Days (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4816 L/kg (MCI method)

Log Koc: 3.683 (MCI method)

Koc : 6.32 L/kg (Kow method)

Log Koc: 0.801 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 8.515E-003 L/mol-sec

Kb Half-Life at pH 8: 2.579 years

Kb Half-Life at pH 7: 25.792 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

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

Log Biotransformation Half-life (HL) = -4.6890 days (HL = 2.046e-005 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.007 (BCF = 1.016)

Log BAF Arnot-Gobas method (upper trophic) = 0.007 (BAF = 1.016)

log Kow used: 0.83 (estimated)

Volatilization from Water:

Henry LC: 7.56E-041 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.935E+037 hours (8.065E+035 days)

Half-Life from Model Lake : 2.111E+038 hours (8.798E+036 days)

Removal In Wastewater Treatment:

Total removal: 1.87 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.78 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 2.14e-015 1.08 1000

Water 15.6 360 1000

Soil 82.1 720 1000

Sediment 2.31 3.24e+003 0

Persistence Time: 799 hr

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