Registration Dossier
Registration Dossier
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EC number: 219-292-8 | CAS number: 2403-89-6
Additional ecotoxological information
Administrative data
- Endpoint:
- additional ecotoxicological information
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Title:
- Unnamed
- Year:
- 2 010
Materials and methods
Test guideline
- Guideline:
- other: QSAR
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 1,2,2,6,6-pentamethylpiperidin-4-ol
- EC Number:
- 219-292-8
- EC Name:
- 1,2,2,6,6-pentamethylpiperidin-4-ol
- Cas Number:
- 2403-89-6
- Molecular formula:
- C10H21NO
- IUPAC Name:
- 1,2,2,6,6-pentamethylpiperidin-4-ol
Constituent 1
Results and discussion
Any other information on results incl. tables
KOCWIN Program (v2.00) Results:
==============================
SMILES : OC(CC(N(C1(C)C)C)(C)C)C1
CHEM : 4-Piperidinol, 1,2,2,6,6-pentamethyl-
MOL FOR: C10 H21 N1 O1
MOL WT : 171.29
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 5.256
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 3.3396
Fragment Correction(s):
3 Nitrogen to Carbon (aliphatic) (-N-C).. : -0.6382
1 Aliphatic Alcohol (-C-OH) ........... : -1.3179
Corrected Log Koc .................................. : 1.3835
Estimated Koc: 24.18 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 1.15
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 1.5612
Fragment Correction(s):
3 Nitrogen to Carbon (aliphatic) (-N-C).. : -0.0654
1 Aliphatic Alcohol (-C-OH) ........... : -0.4114
Corrected Log Koc .................................. : 1.0844
Estimated Koc: 12.14 L/kg <===========
Applicant's summary and conclusion
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