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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification

Data source

Reference
Reference Type:
other: IUCLID 4 data set entry
Title:
No information
Author:
USEPA
Year:
2007
Bibliographic source:
Estimations Programs Interface (EPI) Suite®, version 3.20.

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
MIGRATED DATA SET.

Test material

Constituent 1
Chemical structure
Reference substance name:
3-mercaptopropionic acid
EC Number:
203-537-0
EC Name:
3-mercaptopropionic acid
Cas Number:
107-96-0
Molecular formula:
C3H6O2S
IUPAC Name:
3-sulfanylpropanoic acid

Results and discussion

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):
=======================================

           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0918          5.99         1000       
   Water     34.1            208          1000       
   Soil      65.7            416          1000       
   Sediment  0.0605          1.87e+003    0          

             Fugacity    Reaction    Advection   Reaction   
Advection
              (atm)      (kg/hr)      (kg/hr)    (percent)  
(percent)
   Air       2.36e-012    119         10.3        3.95      
 0.342     
   Water     5.15e-014    1.27e+003   381         42.3      
 12.7      
   Soil      3.38e-012    1.22e+003   0           40.7      
 0         
   Sediment  4.44e-014    0.25        0.0135      0.00833   
 0.00045   

   Persistence Time: 372 hr
   Reaction Time:    428 hr
   Advection Time:   2.85e+003 hr
   Percent Reacted:  87
   Percent Advected: 13

   Half-Lives (hr), (based upon Biowin (Ultimate) and
Aopwin):
      Air:      5.993
      Water:    208.1
      Soil:     416.2
      Sediment: 1873
        Biowin estimate: 3.329  (days-weeks  )

   Advection Times (hr):
      Air:      100
      Water:    1000
      Sediment: 5e+004

Applicant's summary and conclusion