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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
adsorption / desorption
Remarks:
other: estimated by calculation
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study

Data source

Reference
Reference Type:
other: Body responsible for the test
Title:
Unnamed

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Calculation
Media:
soil

Test material

Constituent 1
Chemical structure
Reference substance name:
A mixture of: bis(1S,2S,4S)-(1-benzyl-4-tert-butoxycarboxamido-2-hydroxy-5-phenyl)pentylammonium succinate; isopropyl alcohol
EC Number:
414-810-0
EC Name:
A mixture of: bis(1S,2S,4S)-(1-benzyl-4-tert-butoxycarboxamido-2-hydroxy-5-phenyl)pentylammonium succinate; isopropyl alcohol
Cas Number:
144163-85-9
Molecular formula:
Empirical formula: C25H35N2O5
IUPAC Name:
butanedioic acid; propan-2-ol; bis(tert-butyl N-[(4R)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate)

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Value:
0.68
Remarks on result:
other: Kenaga/Goring correlation (1980)
Type:
log Koc
Value:
1.68
Remarks on result:
other: Hodson/Williams correlation (1988)
Type:
log Koc
Value:
4.86
Remarks on result:
other: Computer calculation 'Estimation of the soil adsorption coefficient Koc, version 1.21, Syracuse Research Corporation

Applicant's summary and conclusion

Conclusions:
The adsorption coefficient of A-88820.605 was estimated by calculation using 3 different methods:

a) Kenaga/Goring correlation (1980) 0.544 Log Pow + 1.377 = Log Koc = 1.63 b) Hodson/Williams correlation (1988) 0.827 Log Pow + 0.292 = Log Koc = 0.68 c) Computer calculation 'Estimation of the soil adsorption coefficient Koc, version 1.21, Syracuse Research Corporation gives Log Koc = 4.86 For the computer program, the value is for the free amine not the salt