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Density

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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:
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

For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

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:
EU Method A.3 (Relative Density)
Qualifier:
according to
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

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.