4-allyl-2-methoxyphenyl acetate

Auto flammability

Administrative data

Endpoint:

relative self-ignition temperature (solids)

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because the substance is a solid having a melting point <= 160°C

Justification for type of information:

JUSTIFICATION FOR DATA WAIVING
In accordance with column 2 of REACh Annex VII, the study does not need to be conducted for solids, if the substance has a melting point ≤ 160 °C, or if preliminary results exclude self-heating of the substance up to 400 °C.
The present substance meets the definition of a solid (mp > 20°C, based on CLP criteria), and having a low melting point (23.9°C), it fulfills the above exemption criteria. For the same reason, self-heating does not apply, and self-heating, under IU section 4.13, is recommended by ECHA R7a guidance (v6.0, July 2017, §R7.1.10.7), instead of relative self-ignition of solids based on EU A16 guideline under the present IU section 4.12, because the new UN N4 test is the standard used for CLP classification purpose.
However, as presented under IU 4.2, the substance exists mainly as a liquid, in subcooled state.
Based on high Flash Point (142°C), and lack of exothermal reaction, up to the maximum test temperature of 500°C in the boiling point study, no particular hazard is anticipated in normal conditions of storage, handling and use.
Moreover, the Auto-Ignition Temperature is not a criteria for CLP classification.
Therefore, the experimental study was deemed unnecessary.

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental dates: September 19, 2017 to September 21, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognized method, and under GLP. No deviation was reported. The test substance is adequately characterised. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

Regulation (EC) No. 440/2008

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on 20 & 21 June 2017 / signed on 04 September 2017

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

The sample was tested as received. No further preliminary treatment such as drying or milling was performed.

Key result

Melting / freezing pt.:

23.9 °C

No effect was observed during the cooling phase.

The measurements showed an exothermal effect (freezing) during heating up in the temperature range of (-45) to 0°C and an endothermal effect was observed in the temperature range of 20 to 40°C. The onset temperature was derived from the intersection of the tangent line with the highest slope of the endothermal peak with the baseline.

Assay	Test item (mg)	Onset (°C)
1	12.70	23.73
2	13.73	24.07

Duplicate measurements arewithin accuracy (+/- 0.5 °C), therefore the mean value was retained: The test item has a mean melting point of 23.9 °C.

As the test item showed the behaviour of a subcooled melt, the evaluation of the freezing point was not possible.

Executive summary:

The melting point of the test substance was determined under GLP according to OECD 102 / EU A1 guidelines, using Differential Scanning Calorimetry method.

The determination was carried out in duplicate.

Freezing point could not be determined, due to subcooled state.

The mean melting point was measured at 23.9°C.

Cross-reference 2

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

self-heating substances / mixtures

Data waiving:

study technically not feasible

Justification for data waiving:

the study does not need to be conducted because the substance is a liquid

Justification for type of information:

JUSTIFICATION FOR DATA WAIVING
According to ECHA Guidance on the Application of the CLP Criteria (v5.0, July 2017, §2.11.4.2.), the phenomenon of self-heating generally applies only to solids. The surface of liquids is not large enough for reaction with air, and the test method (UN N4) is not applicable to liquids. Therefore liquids, unless adsorbed, are not classified as self-heating. Similarly, substances with a low melting point (i.e. completely molten up to 160 °C) should not be considered for classification in this class either, since the melting process is endothermic and the substance-air surface is drastically reduced.
The present substance is borderline to the definition of a solid (mp > 20°C, based on CLP criteria), but as presented under IU 4.2, it exists mainly as a liquid, in subcooled state. However, considering it may also exist as a solid under certain conditions, the exemption criteria is also fulfilled.

Moreover, the chemical structure does not contain metals, which are typically self-heating substances.

The hazard class does not apply.

Reason / purpose for cross-reference:

data waiving: supporting information

Cross-reference 3

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

flash point of flammable liquids

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental dates: November 13, 2017 to November 20, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognized method, and under GLP. No significant deviation was reported. The test substance is adequately characterised. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

EU Method A.9 (Flash-Point)

Version / remarks:

Regulation (EC) No. 440/2008

Deviations:

no

Qualifier:

according to guideline

Guideline:

ISO 3679 (Determination of flash point - Rapid equilibrium closed cup method)

Version / remarks:

2004

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on 20 & 21 June 2017 / signed on 04 September 2017

Type of method:

equilibrium method closed cup

Dynamic viscosity of test material:

no data (slightly viscous, according to sample description)

Specific details on test material used for the study:

The sample was tested as received.

Key result

Flash point:

142 °C

Atm. press.:

1 013 hPa

Flash point:

142.5 °C

Atm. press.:

1 015.6 hPa

Preliminary test

Test item / g	Starting temperature / °C	Temperature / °C	Ignition + / -
2	20	-	-
4	100	133	+
4	100	128	+
4	108	128.5	+

Main test

Test item / g	Temperature / °C	Ignition + / -	Barometric pressure / hPa
4	128.0	-	1019.8
4	133.0	-	1019.8
4	138.0	-	1019.8
4	143.0	+	1019.8
4	138.0	-	1019.8
4	139.0	-	1019.8
4	140.0	-	1019.8
4	141.0	-	1019.8
4	142.0	-	1019.8
4	143.0	+	1019.8
4	142.0	-	1019.8
4	143.0	+	1019.8
4	142.0	-	1019.8
4	143.0	+	1019.8
4	142.0	-	1019.8
4	143.0	+	1015.6
4	142.5	+	1015.6
4	142.0	-	1015.6
4	142.5	+	1015.6
4	142.0	-	1015.6
4	142.5	+	1015.6
4	142.0	-	1015.6

FP measured = 142.5°C

FP corrected = 142.5+ 0.025 (1013-1015.6) = 142.4°C

The lowest flash point corrected to 1013 hPa is rounded down with an accuracy of 0.5 °C: 142.0 °C.

Interpretation of results:

GHS criteria not met

Remarks:

GHS and EU-CLP criteria not met

Conclusions:

The flash point of the test substance is above the classification thresholds of 60°C (CLP criteria) or 93°C (GHS criteria). Therefore the test substance is NOT classified as a flammable liquid.

Executive summary:

The flash point of the test substance was determined under GLP according to EU guideline A.9, using a closed cup equilibrium method.

The lowest measured value was corrected to normal atmP.

The normal flash point was 142.0°C (under 1013 hPa).

Cross-reference 4

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental dates: September 19, 2017 to September 21, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognized method, and under GLP. No deviation was reported. The test substance is adequately characterised. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

Regulation (EC) No. 440/2008

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected on 20 & 21 June 2017 / signed on 04 September 2017

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

The sample was tested as received. No further preliminary treatment such as drying or milling was performed.

Key result

Boiling pt.:

281.2 °C

Atm. press.:

1 013.3 hPa

Both determinations showed an endothermal effect in the temperature range of 270 – 315 °C. The onset temperature was derived from the intersection of the tangent line with the highest slope of the endothermal peak with the baseline. No further endothermic or exothermic effects were observed up to the final temperature (500°C). The mass loss after the DSC measurements amounted to 99%.

For the correction of the boiling point to standard atmospheric pressure (1013.3 hPa) the equation, table and graphs of H.B. Hass and R.F. Newton were used, and the test item was classified in group 3 (esters).

Assay	Test item (mg)	Onset (°C)	Ambient Pressure (hPa)	Corrected bp (°C)
1	12.39	281.24	1015.8	281.13
2	12.52	281.31	1016.1	281.19

Duplicate measurements are within accuracy (+/- 0.5 °C), therefore the mean value is retained: the test item had a mean boiling point at normal atmospheric pressure (1013.3 hPa) of 281.2°C.

Executive summary:

The boiling point of the test substance was measured under GLP according to OECD 103 / EU A2 guidelines, using Differential Scanning Calorimetry method.

The determination was carried out in duplicate, and individual results were corrected to normal atmospheric pressure.

The mean boiling point was measured at 281.2°C at 1013.3 hPa.