The Good Scents Company Information Listings

This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet

CAS Num: 000126-14-7



CHEM : .alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofura

nosyl, tetraacetate

MOL FOR: C28 H38 O19

MOL WT : 678.60

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

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = -0.42

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

Boiling Pt (deg C): 640.99 (Adapted Stein & Brown method)

Melting Pt (deg C): 278.46 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.59E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 2.12E-010 (Modified Grain method)

MP (exp database): 86.5 deg C

Subcooled liquid VP: 6.19E-012 mm Hg (25 deg C, Mod-Grain method)

: 8.25E-010 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 111.7

log Kow used: -0.42 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 910 mg/L ( deg C)

Exper. Ref: MERCK INDEX (1996)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3617.7 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.44E-028 atm-m3/mole (1.46E-023 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: 1.271E-014 atm-m3/mole (1.288E-009 Pa-m3/mole)

VP: 1.59E-012 mm Hg (source: MPBPVP)

WS: 112 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.42 (KowWin est)

Log Kaw used: -26.230 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 25.810

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5919

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5831 (weeks-months)

Biowin4 (Primary Survey Model) : 4.5177 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.7663

Biowin6 (MITI Non-Linear Model): 0.9521

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8619

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): 8.25E-010 Pa (6.19E-012 mm Hg)

Log Koa (Koawin est ): 25.810

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

Mackay model : 3.63E+003

Octanol/air (Koa) model: 1.58E+013

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 = 72.9851 E-12 cm3/molecule-sec

Half-Life = 0.147 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.759 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

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 : 6.001E+006 L/kg (MCI method)

Log Koc: 6.778 (MCI method)

Koc : 1.949 L/kg (Kow method)

Log Koc: 0.290 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 9.325E-001 L/mol-sec

Kb Half-Life at pH 8: 8.603 days

Kb Half-Life at pH 7: 86.028 days

(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) = -7.7020 days (HL = 1.986e-008 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.9003)

Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.9003)

log Kow used: -0.42 (estimated)

Volatilization from Water:

Henry LC: 1.44E-028 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.059E+025 hours (4.413E+023 days)

Half-Life from Model Lake : 1.155E+026 hours (4.814E+024 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 8.5e-019 3.52 1000

Water 1.62 900 1000

Soil 40.3 1.8e+003 1000

Sediment 58.1 8.1e+003 0

Persistence Time: 4.08e+003 hr

Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) Disclaimer Privacy Policy