Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

surface tension
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because water solubility is below 1 mg/L at 20°C
Reason / purpose for cross-reference:
reference to other study
water solubility
Type of information:
Adequacy of study:
key study
Study period:
not applicable
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Justification for type of information:
US EPA. [2011]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 or insert version used]. United States Environmental Protection Agency, Washington, DC, USA. From
WSKOWWIN v1.41a and WATERNT v1.01
Calculations done with structures having different branching (number of terminal CH3), possible constituents of the substance.
See report.

according to guideline
other: QSAR estimation
Principles of method if other than guideline:
WSKOWWIN v1.41a and WATERNT v1.01
GLP compliance:
not specified
Water solubility:
0.003 mg/L
25 °C
Remarks on result:
other: The pH at time of measurement is not known
The main constituents C12 branche alkylbene have an estimated water solubility of 0.8 - 2.6 µg/L at 25 °C using WATERNT v1.01 as implemented through EPI Suite v4.11, and is considered as an insoluble substance (< 0.1 mg/L)
Executive summary:

A QSAR prediction has been done for many branched constituents of BAB and have been compared with experimental and estimated values of one alkylbenzene component. Based on the results, the estimated water solubility of BAB may be 7- to 8-fold overestimated and may be corrected to 0.1-36 (all BAB components) and 0.8-2.6 (C12 fraction) µg/L.

Data source

Materials and methods

Results and discussion

Applicant's summary and conclusion