Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
key study
Study period:
2013
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Estimation method using accepted calculation method.

Data source

Reference
Reference Type:
other: software
Title:
Unnamed
Year:
2013

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPI Suite v4.11
Release year:
2 011
Media:
other: air - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Castor oil, sulfated, sodium salt
EC Number:
269-123-7
EC Name:
Castor oil, sulfated, sodium salt
Cas Number:
68187-76-8
Molecular formula:
not applicable
IUPAC Name:
Castor oil, sulphated, sodium salt
Details on test material:
SMILES: O=C(CCCCCCC=CCC(CCCCCC)O)OC(COC(=O)(CCCCCCCC=CCC(O)CCCCCC))C(=O)(OCCCCCCCC=CCC(OS(O([Na]))(=O)=O)CCCCCC)

Results and discussion

Percent distribution in media

Air (%):
0.02
Water (%):
17.6
Soil (%):
82.2
Sediment (%):
0.2

Any other information on results incl. tables

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

Compound Being Estimated:

Castor oil, sulfated, sodium salt

Molecular Wt: 1007.5

Henry's LC : 5.72e-016 atm-m3/mole (Henrywin program)

Vapor Press : 3.22e-039 mm Hg (Mpbpwin program)

Liquid VP  : 5.26e-036 mm Hg (super-cooled)

Melting Pt : 350 deg C (Mpbpwin program)

Log Kow    : 15 (Kowwin program)

Soil Koc   : 1e+010 (KOCWIN MCI method)

 

Mass Amount    Half-Life    Emissions

(percent)       (hr)       (kg/hr)

Air        0.0185         0.421        1000

Water     17.6            900          1000

Soil      82.2            1.8e+003     1000

Sediment  0.201          8.1e+003     0

 

Fugacity   Reaction   Advection  Reaction   Advection

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

Air      8.4e-043    976        5.94       32.5       0.198

Water    3.07e-029   436        566        14.5       18.9

Soil     3.47e-028   1.02e+003  0          33.9       0

Sediment 3.82e-029   0.552      0.129      0.0184     0.0043

 

Persistence Time: 1.07e+003 hr

Reaction Time:   1.32e+003 hr

Advection Time:  5.62e+003 hr

Percent Reacted: 80.9

Percent Advected: 19.1

 

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

Air:     0.4213

Water:   900

Soil:    1800

Sediment: 8100

Biowin estimate: 2.657 (weeks-months)

 

Advection Times (hr):

Air:     100

Water:   1000

Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Distribution in environmental compartments has been calculated using a Fugacity model according to Mackay, Level III. Soil and water were found to be the major target compartments.
Executive summary:

Distribution in environmental compartments has been calculated using a Fugacity model according to Mackay, Level III. Soil and water were found to be the major target compartments.