Registration Dossier
Registration Dossier
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EC number: 265-450-4 | CAS number: 65113-95-3
Vapour pressure
Administrative data
Link to relevant study record(s)
Description of key information
The vapour pressure is expected to be in the range of 0.9 to 2.78 Pa at 20-25 °C.
Key value for chemical safety assessment
Additional information
The vapour pressure of the multi-constituent substance was provided as a range for the three main constituents.
The vapour pressure for each constituent was estimated using the validated MPBPWIN model. The calculation was performed with a validated model 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: 2.09 Pa at 25°C
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: 2.78 Pa at 25°C
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: 1.65 Pa at 25°C
A measured value is available for the related substance, Ebanone (CAS 67801-15-4). The major component of Ebanone (present at a concentration range of 80 to 100%, typically 84%) is 4-penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (E)-, which is the second component listed above for the registration substance. The vapour pressure was determined by the gas saturation method in line with EU Method A4, OECD Guideline 104 and Method 830.7950 of the OPPTS Guidelines but was not performed according to GLP. The study was therefore assigned a reliability score of 2 in accordance with the principles for assessing data described in Klimisch (1997).The vapour pressure of Ebanone was determined to be 0.90 Pa at 20°C.
Taking into consideration the estimated values for the 3 components and the measured value for 1 component, the vapour pressure of MTCP crude is considered to best represented by the range 0.9 to 2.78 Pa.
A supporting study was available in the form of an experimental vapour pressure of the read-across substance 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-ol (Ebanol). The vapour pressure was determined by the balance method in line with EU Method A4, OECD Guideline 104 and Method 830.7950 of the OPPTS Guidelines and performed according to GLP. The study was therefore assigned a reliability score of 2 in accordance with the principles for assessing data described in Klimisch (1997). The vapour pressure of the read-across substance has been determined to be 0.89 Pa at 25°C. The results were included to demonstrate comparability in physical-chemical properties between Ebanol and MTCP Crude, 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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