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Density

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Endpoint:
density
Remarks:
density
Type of information:
read-across based on grouping of substances (category approach)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Data from reliable handbook and literature.
Justification for type of information:
Read across from the dodecyl methacrylate category member donor substance.
REPORTING FORMAT FOR THE CATEGORY APPROACH
see attached category document
RE_501_C12-C22 Long Chain Alkyl Methacrylates
This is a category (C12-C22 Long Chain Alkyl Methacrylates) with clear trends in the physicochemical properties of its members, related to molecular weight, molecular size and hydrophilicity.
Guideline:
other: not known
Principles of method if other than guideline:
no data
GLP compliance:
not specified
Type of method:
other: no data
Type:
density
Density:
0.87 g/cm³
Temp.:
20 °C
Remarks on result:
other: room temperature (20 °C) assumed
Remarks:
Read across from the category member donor substance n-dodecyl methacrylate CAS: 142-90-5.
Type:
density
Density:
0.874 g/cm³
Temp.:
20 °C
Remarks on result:
other:
Remarks:
Read across from the category member donor substance n-dodecyl methacrylate CAS: 142-90-5.
Type:
density
Density:
0.866 g/cm³
Temp.:
20 °C
Remarks on result:
other:
Remarks:
Read across from the category member donor substance n-dodecyl methacrylate CAS: 142-90-5.
Conclusions:
Read across from the category member donor substance n-dodecyl methacrylate CAS: 142-90-5.
A reliable handbook value of 0.87 g/cm³ at 20 °C is available.
Executive summary:

Read across from the category member donor substance n-dodecyl methacrylate CAS: 142-90-5.

A reliable handbook value of 0.87 g/cm³ at 20 °C is available.

For read across purposes according to ECHA's RAAF (2017), these studies are applicable with a moderate level of confidence.

Endpoint:
relative density
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
Justification for type of information:
Read across from a structural analogous substance.

REPORTING FORMAT FOR THE ANALOGUE APPROACH
Please refere to the attached category document.
RE_501_C12-C22 Long Chain Alkyl Methacrylates
This is a category (C12-C22 Long Chain Alkyl Methacrylates) with clear trends in the physicochemical properties of its members, related to molecular weight, molecular size and hydrophilicity.

1. HYPOTHESIS FOR THE ANALOGUE APPROACH

The target substance as well as the source substance are structurally closely related mono alkyl methacrylate esters differing only in the isomer of the respective alcoholic moieties.
The properties of alkyl methacrylates are very well known from already registered alkyl esters in a chain length ranging from 1 to 22 C-atoms of the respective alcohol moiety. Gelbke et al. (2017) evaluated the lower alkyl methacrylates ranging from C1 to C8 of the alcohol moiety for read-across purposes and came to the conclusion that “The rationale for this category is based on chemical reactivity and a common primary metabolic pathway as follows:
- chemical reactivity: common adverse outcome pathways (AOP) and molecular initiating events (MIE)
- Electrophilic binding of the intact ester to DNA or proteins may be connected with e.g. genotoxicity or sensitization
- Ester cleavage to MAA leading to cytotoxicity caused by low intracellular pH
- common primary metabolic pathway: common functional groups (vinyl double bond, ester group)
- common primary metabolic pathway: rapid metabolism by ester cleavage leading to the common break-down product MAA and the respective alcohol; this metabolic pathway widely is conserved in animals and humans.[….]There is a clear trend in physico-chemical properties by chain length of the alcohol group across the category. As a rule, boiling point and octanol/water partition coefficient, viscosity increase and vapor pressure and water solubility decrease with increasing molecular weight/volume (i.e. alkyl ester group). Due to the increase of the octanol/water partition coefficient with molecular weight, dermal penetration is expected to be low for the larger esters. The very low vapor pressure of higher molecular weight group members at ambient temperature cautions that adverse effects occurring at higher concentrations may be due to aerosol formation (Gelbke et al., 2017)”.
These findings are directly adoptable for the longer chained alkyl esters with an alcohol moiety larger than eight C-atoms for mammalian endpoints. For environmental toxicity and fate there are some reservations, as these endpoints are significantly influenced by the polarity and water solubility. Concerning aquatic toxicity, a critical point can be observed at chain length around C10 of the alcohol moiety driven by decreasing polarity and therefore potentially higher adsorption by the skin and a still considerable range of solubility in water. The mammalian oral toxicity is driven by the afore cited metabolism. Dermal and respiratory toxicity follow the regular pattern of decreasing toxicity by reduced volatility and dermal penetration rate with increasing ester length within the surveyed category of the lower alkyl methacrylates (up to and including C8 methacrylate) and also for linear esters with longer alcohol moiety.

Please refere to the attached category document for further information.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)

(All) source and target substances are alkyl methacrylates (MAs) having a purity higher than 98% with traces of water and the respective alcohol. The alcohols are formed in much greater quantities by ester hydrolysis/cleavage in the organism.
Further information is included as attachment. Please also see attached justification


3. ANALOGUE APPROACH JUSTIFICATION

Please refere to the attached category document.

4. DATA MATRIX

Please refere to the attached category document.
Reason / purpose for cross-reference:
read-across source
Type:
relative density
Density:
0.872
Temp.:
20 °C
Remarks on result:
other: Read across from structural analogue substance LIMA C12-C16 methacrylate CAS: 90551-76-1.
Conclusions:
Read across from structural analogue substance LIMA C12-C16 methacrylate CAS: 90551-76-1.
The relative density of the test item was determined according to DIN 51757 using an oscillating densitimeter: 0.872 at 20 °C.
Executive summary:

Read across from structural analogue substance LIMA C12-C16 methacrylate CAS: 90551-76-1.

The relative density of the test item was determined according to DIN 51757 using an oscillating densitimeter: 0.872 at 20 °C.

For read across purposes according to ECHA's RAAF (2017), this study is applicable with a high level of confidence.

Description of key information

Density: 0.87 g/cm³ at 20 °C (READ-ACROSS to Dodecyl methacrylate).

Relative density: 0.872 at 20°C, DIN 51757 using an oscillating densitimeter (READ ACROSS to LIMA (C12 -C16 methacrylate CAS: 90551-76-1)

Key value for chemical safety assessment

Relative density at 20C:
0.87

Additional information

Key value of relative density is 0.87 g/cm³ at 20 °C (READ-ACROSS to Dodecyl methacrylate)

(Brandes E., Möller W (2003), LITSU 04 -0190, Nabert, Schön (2004), LITSU 07-0100)

Supported by:

Relative density: 0.872 at 20°C, DIN 51757 using an oscillating densitimeter (READ ACROSS to LIMA (C12 -C16 methacrylate CAS: 90551-76-1) ( Evonik Oil Additives GmbH, 2008)