Registration Dossier
Registration Dossier
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EC number: 939-409-2 | CAS number: 1329-99-3
Boiling point
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 168 °C
Additional information
The boiling points of the relevant constituents of Depanol I were calculated using the international accepted QSAR tool EPI WIN v3.20 using the module MPBPWIN v1.42. This information is considered to be Klimisch 2 information.
The calculated boiling points were
167.66 °C for Dipentene (Cyclohexene, 1 -methyl-4 -(1-methylethenyl)-; CAS 138 -86 -3)
178.17°C for Terpinolene (Cyclohexene, 1 -methyl-4 -(1 -methylethylidene)-CAS 586 -62 -9)
169.36°C for alpha Terpinene (1,3 -Cyclohexadiene, 1 -methyl-4 -(1 -methylethyl)-; CAS 99 -86 -5)
169.36°C for gamma Terpinene (1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-; CAS 99 -85 -4).
Since the calculations were performed using an international accepted QSAR tool where reference data and calibration sets are available and the substance falls within the applicability domain, the obtained results are considered reliable and relevant for the risk assessment according to REACH Annex XI section 1.3.
Since the major constituents of Depanol I were considered, the boiling point of 168 to 178°C as determined for the ingredients is considered to be relevant also for the final product. The lowest boiling point, i.e., 168°C will be used for the risk assessment.
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