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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
bioaccumulation: aquatic / sediment
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Prediction model
Title:
Bioaccumulation by EPI (Estimation Programs Interface) Suite
Author:
Sustainability Support Service (Europe) AB - estimated
Year:
2016
Bibliographic source:
Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Modeling database
Principles of method if other than guideline:
Data is from EPI suite predicted model
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride
EC Number:
248-595-8
EC Name:
Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride
Cas Number:
27668-52-6
Molecular formula:
C26H58NO3Si.Cl
IUPAC Name:
dimethyl(octadecyl)[3-(trimethoxysilyl)propyl]azanium chloride
Test material form:
other: Liquid
Details on test material:
- Name of test material (as cited in study report): 1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride
- Molecular formula (if other than submission substance): C26 H58 CL1 N1 O3 Si1
- Molecular weight (if other than submission substance): 496.30g/mol
- Smiles notation (if other than submission substance): c1ccc(cc1)CCOC(=O)c2cccc[Si](OC)(OC)(OC)CCCN(C)(C)(CL)CCCCCCCCCCCCCCCCCCc2O
- InChl (if other than submission substance: 1S/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Liquid
Radiolabelling:
not specified

Test solutions

Vehicle:
not specified

Test organisms

Test organisms (species):
other: Fish (Species not mentioned)

Study design

Route of exposure:
other: No data
Test type:
other: estimated
Water / sediment media type:
not specified

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
70.79 L/kg
Basis:
not specified
Remarks on result:
other: No other data available
Remarks:
Conc.in environment / dose:No data

Applicant's summary and conclusion

Conclusions:
From EPI Suite modelling database the bioaccumulation concentration (BCF) estimate to be 71 L/kg wet-wt.
This bioaccumulation value indicate that the test substance Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride is non bioaccumulative in nature.
Executive summary:

From EPI Suite modeling database the bioaccumulation concentration (BCF) estimate to be 71 L/kg wet-wt.

 

This bioaccumulation value indicate that the test substanceDimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chlorideis non bioaccumulative in nature since it does not exceed the threshold criteria of 2000.