Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 275-532-1 | CAS number: 71487-01-9
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- The water solubility was estimated from the Log Kow, WSKOW v 1.42 (EPI Suite version 4.11). Log Kow value used : 6.99 (estimated KOAWIN v 1.10 [EPI Suite v 4.11])
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Principles of method if other than guideline:
- The water solubility was estimated from the Log Kow, WSKOW v 1.42 (EPI Suite version 4.11). Log Kow value used : 6.99 (estimated KOAWIN v 1.10 [EPI Suite v 4.11])
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Water solubility:
- 0.002 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Log Kow used 6.99 (estimated from KOAWIN v 1.10)
- Conclusions:
- The water solubility of the reference substance Quaternary Ammonium Compounds, Dicoco Alkyldimethyl nitrites, CAS Number 71487-01-9, EC Number 275-532-1 was estimated to be 0.002193 mg/L at 25 deg C
- Executive summary:
The water solubility of the reference substance quaternary ammonium compounds, dicoco alkyldimethyl nitrites, CAS Number 71487-01-9, EC Number 275-532-1 was investigated using the Log Kow, WSKOW v 1.42 (EPI Suite version 4.11). Log Kow value used : 6.99 (estimated KOAWIN v 1.10 [EPI Suite v 4.11])he The MPBPVP, version 1.43 (EPI Suite Version 4.11)
The study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
The water solubility of the reference substance Quaternary Ammonium Compounds, Dicoco Alkyldimethyl nitrites, CAS Number 71487-01-9, EC Number 275-532-1 was estimated to be 0.002193 mg/L at 25 deg C
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- The water solubility was estimated from the fragments, ECOSAR V 1.11 (EPI Suite version 4.11).
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Principles of method if other than guideline:
- The water solubility was estimated from the fragments, ECOSAR V 1.11 (EPI Suite version 4.11).
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Water solubility:
- 0 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: The water solubility was estimated from the fragments, ECOSAR V 1.11 (EPI Suite version 4.11).
- Conclusions:
- The water solubility of the reference substance Quaternary Ammonium Compounds, Dicoco Alkyldimethyl nitrites, CAS Number 71487-01-9, EC Number 275-532-1 was estimated to be 4.2875E-7 at 25 deg C.
- Executive summary:
The water solubility of the reference substance quaternary ammonium compounds, dicoco alkyldimethyl nitrites, CAS Number 71487-01-9, EC Number 275-532-1 was investigated from the fragments, ECOSAR V 1.11 (EPI Suite version 4.11).
The study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
The water solubility of the reference substance Quaternary Ammonium Compounds, Dicoco Alkyldimethyl nitrites, CAS Number 71487-01-9, EC Number 275-532-1 was estimated to be 4.2875E-7 mg/L at 25 deg C
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- The study was conducted with reference to OECD Guideline 105 Water Solubility adopted 27th July 1995 and Council Regulation (EC) No 440-2008 appendix A.6 Water Solubility.
- GLP compliance:
- no
- Type of method:
- flask method
- Specific details on test material used for the study:
- The commercial product containing the "substance", Quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites, CAS Number 71487 -01 -9, EC Number 275 -532 -1, in organic solvents, methanol and isopropanol (ca. 32%) was utlised for this study. Prior to this study being undertaken, these solvents were removed by, firstly, leaving the sample under a stream of nitrogen to remove the majority of the solvent(s) and, secondly, evaporating the remaining residual solvent(s) under vacuum at 60 degress C to constant dried weight of the test item. After solvent removal the substance was identified to be a yellow viscous liquid / wax like solid.
- Key result
- Remarks on result:
- other: See "remarks"
- Remarks:
- It was not possible to determine the water solubility of the Test Item as it dispersed to form an opaque solution or gel (depending on it`s concentration) as it is not completely soluble in water. It was possible to determine that the Critical Micelle Concentration (CMC) is circa 0.139g/L.
- Details on results:
- It was not possible to determine the water solubility of the Test Item as it dispersed to form an opaque solution or gel (depending on it`s concentration) as it is not completely soluble in water. It was possible to determine that the Critical Micelle Concentration (CMC) is circa 0.139g/L.
- Conclusions:
- It was not possible to determine the water solubility of the Test Item (Quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites, CAS Number 71487 -01 -9, EC Number 275 -532 -1) as it dispersed to form an opaque solution or gel (depending on it`s concentration) as it is not completely soluble in water. It was possible to determine that the Critical Micelle Concentration (CMC) is circa 0.139g/L.
- Executive summary:
The water solubility of the test item (Quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites, CAS Number 71487 -01 -9, EC Number 275 -532 -1) was investigated in a study that was conducted with reference to OECD Guideline 105 Water Solubility adopted 27th July 1995 and Council Regulation (EC) No 440-2008 appendix A.6 Water Solubility.
This study is assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al (1997).
At concentrations of ca 5.1 mg/cm3 did not dissolve in water but dispersed forming a cloudy suspension despite filtration and centrifugation. At higher concentrations (ca. 4.2 g - 4.4 g/50 cm3) the test item could not be dispersed in water, instead forming a colloidal gel.
The fine particulate suspension at lower concentrations is due to the Test Item being a catonic surfactant and at a concentration above it`s critical micelle concentration (the concentration of surfactants above which micelles form and all additional surfactants added to the system become micelles). This was confirmed when the solution exhibited the Tyndall effect as a laser was shone through it, the Tyndall effect is the scattering of light as a light beam passes through a colloid.
Consequently, it was not possible to determine the water solubility of the Test Item as it dispersed to form an opaque solution or gel (depending on it`s concentration) as it is not completely soluble in water. It was possible to determine that the Critical Micelle Concentration (CMC) is circa 0.139g/L.
Referenceopen allclose all
Description of key information
The water solubility of the test item (Quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites, CAS Number 71487-01-9, EC Number 275-532-1) was investigated in a study that was conducted with reference to OECD Guideline 105 Water Solubility adopted 27th July 1995 and Council Regulation (EC) No 440-2008 appendix A.6 Water Solubility.
This study is assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al (1997).
At concentrations of ca 5.1 mg/cm3 did not dissolve in water but dispersed forming a cloudy suspension despite filtration and centrifugation. At higher concentrations (ca. 4.2 g - 4.4 g/50 cm3) the test item could not be dispersed in water, instead forming a colloidal gel.
The fine particulate suspension at lower concentrations is due to the Test Item being a catonic surfactant and at a concentration above it`s critical micelle concentration (the concentration of surfactants above which micelles form and all additional surfactants added to the system become micelles). This was confirmed when the solution exhibited the Tyndall effect as a laser was shone through it, the Tyndall effect is the scattering of light as a light beam passes through a colloid.
Consequently, it was not possible to determine the water solubility of the Test Item as it dispersed to form an opaque solution or gel (depending on it`s concentration) as it is not completely soluble in water. It was possible to determine that the Critical Micelle Concentration (CMC) is circa 0.139g/L.
In two supporting studies, the water solubility of the reference substance, quaternary ammonium compounds, dicoco alkyldimethyl nitrites, CAS Number 71487-01-9, EC Number 275-532-1, was investigated using the QSAR tool, EPI suite version 4.11).
In the first case the water solubility of the reference substance quaternary ammonium compounds, dicoco alkyldimethyl nitrites, CAS Number 71487-01-9, EC Number 275-532-1 was investigated using the Log Kow, WSKOW v 1.42 (EPI Suite version 4.11). Log Kow value used : 6.99 (estimated KOAWIN v 1.10 [EPI Suite v 4.11]).
The study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
The water solubility of the reference substance Quaternary Ammonium Compounds, Dicoco Alkyldimethyl nitrites, CAS Number 71487-01-9, EC Number 275-532-1 was estimated to be 0.002193 mg/L at 25 deg C
In the second case the water solubility was evaulated by evaulation of the fragments; Wat Sol v.1.01 est (EPI Suite version 4.11).
The study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
The water solubility of the reference substance Quaternary Ammonium Compounds, Dicoco Alkyldimethyl nitrites, CAS Number 71487-01-9, EC Number 275-532-1 was estimated to be 4.2875E-7 mg/L at 25 deg C.
As the water solubility of the substance is very low and since the minimum water solubility value that EUSES accepts is 0.001 mg/l, 0.002193 is used for the assessment.
Key value for chemical safety assessment
- Water solubility:
- 0.002 mg/L
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
