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EC number: 306-621-6 | CAS number: 97338-28-8
Density
Administrative data
Link to relevant study record(s)
- Endpoint:
- relative density
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- according to guideline
- Guideline:
- other: REACh Guidance on QSARs R.6
- Principles of method if other than guideline:
- Calculation with use of SPARC online calculator v4.6, molecular volume model for estimation of density. Description of methodology is outlined in: Carreira, L. A., S. Hilal and S. W. Karickhoff, "Estimation of Chemical Reactivity Parameters and Physical Properties of Organic Molecules Using SPARC," (Book Chapter), Theoretical and Computational Chemistry, Quantitative Treatment of Solute/Solvent Interactions, Eds. P. Politzer and J. S. Murray, Elsevier Publishers, 1994.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Type:
- density
- Density:
- >= 0.89 - <= 0.93 g/cm³
- Temp.:
- 20 °C
- Type:
- relative density
- Density:
- >= 0.89 - <= 0.93 other: unitless
- Temp.:
- 20 °C
- Endpoint:
- relative density
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Certificate of Analysis
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.3 (Relative Density)
- Qualifier:
- according to guideline
- Guideline:
- other: PE (European Pharmacopoeia) 2.2.5
- GLP compliance:
- no
- Type of method:
- other: no further specification available
- Type:
- relative density
- Density:
- 0.865 - 0.885
- Temp.:
- 20 °C
Referenceopen allclose all
For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
Description of key information
relative density 0.865-0.885 at 20 °C
Key value for chemical safety assessment
- Relative density at 20C:
- 0.88
Additional information
The relative density of the substance isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate (CAS 97338-28-8) was determined according to guidelines EU A.3 and PE (European Pharmacopoeia) 2.2.5. QSAR results (SPARC v4.6) for the main constituents reported in section 1.2 are of 0.89-0.93 g/cm³ at 20 °C.
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