Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Modelling
Title:
Fugacity
Author:
EPISUITE v4.1
Year:
2013
Bibliographic source:
US EPA. 2013. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.1.1. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Test material

Constituent 1
Chemical structure
Reference substance name:
[2-butyl-4-chloro-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-5-yl]methanol
EC Number:
601-329-8
Cas Number:
114798-26-4
Molecular formula:
C22H23ClN6O
IUPAC Name:
[2-butyl-4-chloro-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-5-yl]methanol
Details on test material:
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : Losartan free acid
Molecular Wt: 422.92
Henry's LC : 1.28e-006 atm-m3/mole (calc VP/Wsol)
Vapor Press : 1.1e-005 mm Hg (user-entered)
Log Kow : 1.1 (user-entered)
Soil Koc : 1.41e+005 (KOCWIN MCI method)

Results and discussion

Percent distribution in media

Air (%):
0.113
Water (%):
6.86
Soil (%):
45.6
Sediment (%):
47.5

Any other information on results incl. tables

  Level III Fugacity Model (Full-Output):

=======================================

 Chem Name  : Losartan free acid

 Molecular Wt: 422.92

 Henry's LC : 1.28e-006 atm-m3/mole (calc VP/Wsol)

 Vapor Press : 1.1e-005 mm Hg (user-entered)

 Log Kow    : 1.1 (user-entered)

 Soil Koc   : 1.41e+005 (KOCWIN MCI method)

 

          Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air      0.113          5.04        1000      

  Water    6.86           900         1000      

  Soil     45.6           1.8e+003    1000      

  Sediment 47.5           8.1e+003    0         

 

            Fugacity   Reaction   Advection  Reaction   Advection

             (atm)     (kg/hr)     (kg/hr)   (percent)  (percent)

  Air      3.52e-012   908        66         30.3       2.2      

  Water    4.99e-012   308        401        10.3       13.4     

  Soil     1.32e-013   1.02e+003  0          34.2       0        

  Sediment 6.2e-012    237        55.5       7.91       1.85     

 

  Persistence Time: 1.95e+003 hr

  Reaction Time:   2.36e+003 hr

  Advection Time:  1.12e+004 hr

  Percent Reacted: 82.6

  Percent Advected: 17.4

 

  Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

     Air:     5.04

     Water:   900

     Soil:    1800

     Sediment: 8100

       Biowin estimate: 2.441 (weeks-months)

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

Applicant's summary and conclusion

Executive summary:

The estimated environmental distribution endpoint summary is included for use in the exposure modelling in the Chesar tool.