Reaction mass of dodecyl methacrylate and tridecyl methacrylate

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

supporting study

Justification for type of information:

REPORTING FORMAT FOR THE ANALOGUE APPROACH

1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substances have similar physicochemical, ecotoxicological and toxicological properties because
• they are manufactured from similar or identical precursors under similar conditions
• they share structural similarities with common functional groups: methacrylate esters
• the metabolism pathway leads to comparable products (methacrylic acid and medium chain alcohol).

Therefore, read-across from the existing physicochemical, ecotoxicity and toxicity studies on the source substances is considered as an appropriate adaptation to the standard information requirements of REACH regulation

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
see “Justification for read-across” attached to IUCLID section 13

3. ANALOGUE APPROACH JUSTIFICATION
see “Justification for read-across” attached to IUCLID section 13

4. DATA MATRIX
see “Justification for read-across” attached to IUCLID section 13

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across: supporting information

Temp.:

20 °C

Vapour pressure:

ca. 0.06 Pa

Remarks on result:

other: extrapolated from a vapour pressure curve according Clausius Clapeyron equation

Conclusions:

The vapour pressure of the substance is 0.06 Pa at 20°C.

Reference 2

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Justification for type of information:

1. SOFTWARE
EpiSuite V4.11

2. MODEL (incl. version number)
MPBPVP v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C12 : CCCCCCCCCCCCOC(=O)C(=C)C
C13 : CCCCCCCCCCCCCOC(=O)C(=C)C

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see attached justification

5. APPLICABILITY DOMAIN
- Descriptor domain:
Molecular weight

6. ADEQUACY OF THE RESULT
Since the substance falls within the molecular weight range predictivity of the model used, the prediction is sufficient to provide reliable results for classification and labelling and risk assessment. Furthermore, the vapour pressure obtained from the QSAR prediction is very low as has been expected based on the ionic structure of the substance, which substantiates the assumption that testing of vapour pressure is technically not feasible.

Principles of method if other than guideline:

QSAR estimation using EPISUITE v4.11 software and the MPBPWIN v1.43 model. Identifier used for input for the estimation are SMILES.

GLP compliance:

no

Type of method:

other: QSAR

Temp.:

25 °C

Vapour pressure:

>= 0.06 - <= 0.189 Pa

Conclusions:

The vapour pressure of Tridecyl methacrylate was estimated to be in the range of 0.0599 to 0.189 Pa (EPISUITE v4.11, MPBPWIN v1.43; Modified Grain Method).

Reference 3

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

11th September 2017 to 24th November 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

not specified

GLP compliance:

yes (incl. QA statement)

Type of method:

static method

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Kyoeisha 7061301
- Expiration date of the lot/batch: No Data
- Purity test date: No Data

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:
- Stability under test conditions:
- Solubility and stability of the test substance in the solvent/vehicle:
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium:

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing:
- Preliminary purification step (if any):
- Final dilution of a dissolved solid, stock liquid or gel:
- Final preparation of a solid:

FORM AS APPLIED IN THE TEST (if different from that of starting material)

TYPE OF BIOCIDE/PESTICIDE FORMULATION (if applicable)

OTHER SPECIFICS:

Key result

Temp.:

20 °C

Vapour pressure:

2.6 Pa

Conclusions:

The study found that the vapour pressure was 2.6 Pa at 20°C.

Description of key information

The vapour pressure was determined to be 2.6 Pa at 20°C.

Key value for chemical safety assessment

Vapour pressure:

2.6 Pa

at the temperature of:

20 °C