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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
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:
2015

Materials and methods

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

Test material

Constituent 1
Chemical structure
Reference substance name:
N,N'-ethylenedi(stearamide)
EC Number:
203-755-6
EC Name:
N,N'-ethylenedi(stearamide)
Cas Number:
110-30-5
Molecular formula:
C38H76N2O2
IUPAC Name:
N,N'-ethylenedi(stearamide)

Results and discussion

Any other information on results incl. tables

KOCWIN Program (v2.00) Results:

==============================

SMILES : O=C(NCCNC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC

CHEM  : Octadecanamide, N,N -1,2-ethanediylbis-

MOL FOR: C38 H76 N2 O2

MOL WT : 593.04

--------------------------- KOCWIN v2.00 Results ---------------------------

 

Koc Estimate from MCI:

---------------------

First Order Molecular Connectivity Index ........... : 20.702

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 11.3917

Fragment Correction(s):

2  N-CO-C (aliphatic carbon) ............ : -2.0554

2  Nitrogen to Carbon (aliphatic) (-N-C).. : -0.4255

Corrected Log Koc .................................. : 8.9108

 

Estimated Koc: 8.143e+008 L/kg  <===========

 

Koc Estimate from Log Kow:

-------------------------

Log Kow (Kowwin estimate) ......................... : 13.98

Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 8.6579

Fragment Correction(s):

2  N-CO-C (aliphatic carbon) ............ : -0.0076

2  Nitrogen to Carbon (aliphatic) (-N-C).. : -0.0436

Corrected Log Koc .................................. : 8.6067

 

Estimated Koc: 4.043e+008 L/kg  <===========

Applicant's summary and conclusion