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: 068917-75-9

SMILES : Oc1ccccc1C(=O)OC2CC(C)CCC2C(C)C

CHEM : Oils, wintergreen

MOL FOR: C17 H24 O3

MOL WT : 276.38

------------------------------ 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) = 6.62

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

Boiling Pt (deg C): 366.59 (Adapted Stein & Brown method)

Melting Pt (deg C): 124.45 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.31E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00175 (Modified Grain method)

MP (exp database): < 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.1427

log Kow used: 6.62 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.3758 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:




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

Bond Method : 2.57E-005 atm-m3/mole (2.60E+000 Pa-m3/mole)

Group Method: 1.58E-008 atm-m3/mole (1.60E-003 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: 3.338E-005 atm-m3/mole (3.383E+000 Pa-m3/mole)

VP: 1.31E-005 mm Hg (source: MPBPVP)

WS: 0.143 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.62 (KowWin est)

Log Kaw used: -2.979 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.599

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9060

Biowin2 (Non-Linear Model) : 0.9832

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7850 (weeks )

Biowin4 (Primary Survey Model) : 3.7176 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3778

Biowin6 (MITI Non-Linear Model): 0.1470

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0607

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): 0.00175 Pa (1.31E-005 mm Hg)

Log Koa (Koawin est ): 9.599

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

Mackay model : 0.00172

Octanol/air (Koa) model: 0.000975

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0584

Mackay model : 0.121

Octanol/air (Koa) model: 0.0724

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 48.8892 E-12 cm3/molecule-sec

Half-Life = 0.219 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.625 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.0896 (Junge-Pankow, Mackay avg)

0.0724 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.417E+004 L/kg (MCI method)

Log Koc: 4.151 (MCI method)

Koc : 4.876E+004 L/kg (Kow method)

Log Koc: 4.688 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 9.417E-003 L/mol-sec

Kb Half-Life at pH 8: 2.332 years

Kb Half-Life at pH 7: 23.323 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 4.033 (BCF = 1.079e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0631 days (HL = 1.156 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.413 (BCF = 258.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.516 (BAF = 327.7)

log Kow used: 6.62 (estimated)

Volatilization from Water:

Henry LC: 2.57E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 39.57 hours (1.649 days)

Half-Life from Model Lake : 571.1 hours (23.79 days)

Removal In Wastewater Treatment:

Total removal: 93.58 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 92.80 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.506 5.25 1000

Water 21.4 360 1000

Soil 70.7 720 1000

Sediment 7.4 3.24e+003 0

Persistence Time: 490 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy