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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
4. Adequacy
4.1 Regulatory purpose:
The present prediction may be used for preparing the REACH Joint Registration
Dossier on the Substance(s) for submission to the European Chemicals Agency
(“ECHA”) as required by Regulation (EC) N° 1907/2006 of the European Parliament
and of the Council of 18 December 2006 concerning the Registration, Evaluation,
Authorisation and Restriction of Chemicals ("REACH") and as required by Biocide
Product Directive 98/8/EC ("98/8/EC")
4.2 Approach for regulatory interpretation of the model result
The predicted result has been presented in the formats directly usable for the intended
regulatory purposes; both the numeric value and the transferred (regulatory) scale
values have been presented.
4.3 Outcome
See section 3.2(e) for the classification of the prediction in light of the regulatory
purpose described in 4.1.
4.4 Conclusion
Considering the above, the predicted result can be considered adequate for the
regulatory conclusion described in 4.1.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019
Report date:
2019

Materials and methods

Test guideline
Qualifier:
no guideline required
Guideline:
other:
GLP compliance:
no
Type of method:
other: Modelled data

Test material

Constituent 1
Chemical structure
Reference substance name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
EC Number:
277-600-6
EC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
Cas Number:
73772-46-0
Molecular formula:
C14H30N2O3
IUPAC Name:
(carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
Test material form:
liquid

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
2
Temp.:
25 °C
pH:
ca. 7

Applicant's summary and conclusion

Conclusions:
Log P = 2

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