7-methyl-2H-benzo-1,5-dioxepin-3(4H)-one

Auto flammability

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

auto-ignition temperature (liquids)

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

From November 20 to December 07, 2007

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. The substance is considered to be adequately characterised with its purity. However, validation applies with restrictions as technical parameters are not optimised for the endpoint.

Qualifier:

according to guideline

Guideline:

other: OECD 103

Deviations:

yes

Remarks:

open crucible, maximum temperature

Principles of method if other than guideline:

differential scanning calorimetry

GLP compliance:

yes (incl. QA statement)

Remarks:

UK GLP Compliance Programme (inspected on August 21, 2007/ signed on October 15, 2007)

Auto-ignition temperature:

> 350 °C

Atm. press.:

99.59 kPa

No exotherm was observed up to the maximum test temperature of 350°C.

Executive summary:

A DSC study was conducted for the determination of the boiling point of the substance. Though the parameters are not optimised for self-heating assessment, it is interesting to notice that no exotherm was observed up to the maximum test temperature of 350°C.

Reference 2

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. As presented under Section 4.2, the substance has a melting point of 37.9°C, therefore no additional information is required.

Reason / purpose for cross-reference:

data waiving: supporting information

Reference 3

Endpoint:

auto-ignition temperature (liquids)

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

From 29 June 2009 to 01 July 2009

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. No deviation was reported. Substance ID is adequately specified with purity. It is considered fully reliable for the test substance.

Qualifier:

according to guideline

Guideline:

EU Method A.15 (Auto-Ignition Temperature (Liquids and Gases))

Qualifier:

according to guideline

Guideline:

IEC 60079-4 (Electrical apparatus for explosive gas atmospheres. Part 4: Method of test for ignition temperature)

Version / remarks:

Anon (1987), Electrical apparatus for explosive gas atmospheres. Part 4: Method of test for ignition temperature. IEC Publications 79-4, p1-19.

GLP compliance:

yes (incl. QA statement)

Remarks:

inspection 19/08/2008, signature 4/3/2009

Specific details on test material used for the study:

Storage conditions: approximately 4ºC in the dark under nitrogen

Auto-ignition temperature:

400 °C

Atm. press.:

101.79 - 102.18 kPa

Detailed determinations are available in the experimental report.

accuracy: +/-5°C

Conclusions:

This parameter/method is not relevant for classification, however the information is useful regarding process safety and potential additional fire hazard. No particular hazard is anticipated in normal conditions of storage.

Executive summary:

The auto-ignition temperature of the test substance was measured under GLP according to IEC 79-4 method (listed in EU A15 guideline). Test material was injected into a heated flask, until the lowest temperature at which ignition occurs was determined. The relevant parameters were recorded for the final result.

The test material has been determined to have an auto-ignition temperature of 400 ± 5 °C.

Reference 4

Endpoint:

auto-ignition temperature (liquids)

Type of information:

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

Adequacy of study:

supporting study

Justification for type of information:

1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The hypothesis is based on structural similarity (isopropyl substituent for the test substance instead of methyl substituent for the target, i.e. 2-C difference alkyl substituent).

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Refer to the Test material section of the source and target records.

3. ANALOGUE APPROACH JUSTIFICATION
Based on structural similarity and comparing flash points, respectively 142°C for the test substance (Firmenich 2009), and 135°C for the present dossier (Firmenich 2008; please refer to IU section 4.11), both substances are not expected to have significantly different AIT, and the read-across is considered suitable.

4. DATA MATRIX
Source: 7-Isopropyl-2H,4H-1,5-benzodioxepin-3-one
Target: 7-methyl-2H-1,5-benzodioxepin-3(4H)-one


Further information is included in IUCLID Section 13.

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across: supporting information

Reason / purpose for cross-reference:

read-across: supporting information

Key result

Auto-ignition temperature:

ca. 400 °C

Atm. press.:

101.325 kPa

Conclusions:

(from analogue) This parameter/method is not relevant for classification, however the information is useful regarding process safety and potential additional fire hazard. No particular hazard is anticipated in normal conditions of storage.

Executive summary:

The auto-ignition temperature of the analogue test substance was measured under GLP according to IEC 79-4 method (listed in EU A15 guideline). Test material was injected into a heated flask, until the lowest temperature at which ignition occurs was determined. The relevant parameters were recorded for the final result.

The derived auto-ignition temperature of the target substance is expected to be ca 400 °C.

Description of key information

(from analogue) AIT expected ca 400°C

Key value for chemical safety assessment

Autoflammability / Self-ignition temperature at 101 325 Pa:

400 °C

Additional information

Based on the melting point of ca 38°C (refer to point 4.2), testing for relative self-ignition can be waived.

However, a reliable experimental study, conducted according to a recognized IEC/EU method and under GLP, is available on an analogue. Based on chemical similarity, and comparing flash points, no significant difference is anticipated with the present dossier substance, so the read-across is considered justified, and the result retained as key data.

Moreover, a supporting DSC study available on the parent substance confirms the absence of exothermic reaction up to 350°C.

This parameter is not relevant for classification, however the information is useful regarding process safety and potential additional fire hazard. No particular hazard is anticipated in normal conditions of storage.