Registration Dossier
Registration Dossier
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Diss Factsheets
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EC number: 249-320-4 | CAS number: 28940-11-6
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Auto flammability
Administrative data
Link to relevant study record(s)
- 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
- 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.
- 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
- 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
- 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.
- 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.
Referenceopen allclose all
No exotherm was observed up to the maximum test temperature of 350°C.
Detailed determinations are available in the experimental report.
accuracy: +/-5°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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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