Registration Dossier
Registration Dossier
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EC number: 265-450-4 | CAS number: 65113-95-3
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
The water solubility was determined to be in the range of 4.32-38.95 mg/L at 25°C.
Key value for chemical safety assessment
Additional information
The water solubility of the multi-constituent substance is presented as a range for the three main constituents.
The water solubility of each constituent was estimated using the validated WSKOWWIN and WATERNT models and is considered to be a good representation of the physical-chemical properties of the substance. The calculation was therefore assigned a reliability score of 2 in accordance with the criteria for assessing data quality, as outlined in Klimisch (1997). The estimated values for the three components are:
3-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (3E)-,CAS 72717-08-9, concentration range 30-50 % w/w in the substance: 4.3215 mg/L (WATERNT); 5.155 mg/L (WSKOWWIN)
4-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (E)-,concentration range 20-30 % w/w in the substance: 38.945 mg/L (WATERNT); 13 mg/L (WSKOWWIN)
5-Hexen-3-one, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (5E)-,CAS 72717-06-7, concentration range 10-20 % w/w in the substance: 23.239 mg/L (WATERNT); 11.05 mg/L (WSKOWWIN)
Taking into consideration the estimated values for the 3 components, the water solubility of MTCP crude is considered to best represented by the range 4.32 to 38.95mg/L.The substance is considered to be slightly soluble according to the interpretation of results in IUCLID (i.e. water solubility in the range of 0.1 to 100 mg/L).
A supporting study was provided in the form of a water solubility study on the read-across substance Ebanol. The water solubility was determined by the flask method in line with EU Method A6, OECD Guideline 105 and Method 830.7840 of the OPPTS Guidelines. The water solubility of the read-across substance was determined to be 34.1 mg/L at 20°C. The results were included to demonstrate comparability in the physical-chemical properties between the two substances since data on Ebanol has been used in this dossier to address certain endpoints for MTCP Crude on the basis of read-across (for further details see read-across justification document, attached in section 13).
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.
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