Registration Dossier
Registration Dossier
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EC number: 204-709-8 | CAS number: 124-68-5
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- Not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Remarks:
- since the study can be waived, this section is ommitted
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
- Principles of method if other than guideline:
- EPI SUMMARY (v4.11), KOCWIN Program (v2.00), gives two submodels
Koc Estimate from MCI
Koc Estimate from Log Kow - GLP compliance:
- no
Test material
- Reference substance name:
- 2-amino-2-methylpropanol
- EC Number:
- 204-709-8
- EC Name:
- 2-amino-2-methylpropanol
- Cas Number:
- 124-68-5
- Molecular formula:
- C4H11NO
- IUPAC Name:
- 2-amino-2-methylpropan-1-ol
- Details on test material:
- Not applicable
Constituent 1
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- log Koc
- Value:
- 0.404
- Remarks on result:
- other: Estimate from MCI
- Type:
- log Koc
- Value:
- 0.083
- Remarks on result:
- other: Estimate from Log Kow
Any other information on results incl. tables
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 2.561
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 1.9347
Fragment Correction(s):
1 Nitrogen to Carbon (aliphatic) (-N-C).. : -0.2127
1 Aliphatic Alcohol (-C-OH) ........... : -1.3179
Corrected Log Koc .................................. : 0.4040
Estimated Koc: 2.535 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : -0.74
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 0.5158
Fragment Correction(s):
1 Nitrogen to Carbon (aliphatic) (-N-C).. : -0.0218
1 Aliphatic Alcohol (-C-OH) ........... : -0.4114
Corrected Log Koc .................................. : 0.0826
Estimated Koc: 1.209 L/kg <===========
Applicant's summary and conclusion
- Conclusions:
- EPIsuite (KOCWIN v2.00) QSAR predicted the fpollowing log Koc values:
Estimate from MCI: 0.404
Estimate from Log Kow: 0.0826
These are highly consistent with the hydrophilic nature of the test item.
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