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Ecotoxicological information

Additional ecotoxological information

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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:
2010

Materials and methods

Test guideline
Guideline:
other: QSAR
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
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

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