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EC number: 260-486-7 | CAS number: 56973-85-4
Auto flammability
Administrative data
Link to relevant study record(s)
- Endpoint:
- auto-ignition temperature (liquids)
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 21 July - 16 September 2015
- 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 isomers ratio. It is considered fully reliable for the test substance.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.15 (Auto-Ignition Temperature (Liquids and Gases))
- Version / remarks:
- 2008
- Qualifier:
- according to guideline
- Guideline:
- DIN 51794 (Testing of mineral oil hydrocarbons - Determination of ignition temperature)
- Version / remarks:
- May 2003
- Qualifier:
- according to guideline
- Guideline:
- IEC 60079-4 (Electrical apparatus for explosive gas atmospheres. Part 4: Method of test for ignition temperature)
- Version / remarks:
- IEC standard 79-4, 1975
- GLP compliance:
- yes
- Remarks:
- (no certificate)
- Auto-ignition temperature:
- 265 °C
- Atm. press.:
- >= 990.1 - <= 1 000.6 hPa
- 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/DIN51794 methods (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 (volume, time lag, atmospheric pressure) were recorded for the final result.
The test material has been determined to have an auto-ignition temperature of 265 °C.
- Endpoint:
- auto-ignition temperature (liquids)
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- 1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The hypothesis is based on structural similarity, supported by comparison of flash points.
Both source (tested) and target substance refer to 1-[(x,x)-dimethyl-1-cyclohexen-1-yl]-pent-4-en-1-one, which can exist as alpha (1-[(5,5)-dimethyl...) or beta (1-[(3,3)-dimethyl...) forms. The source substance is the reaction mass of alpha and beta isomers, with alpha as major constituent (ca 65%); the target substance is the single alpha isomer.
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
Both substances are not expected to have significantly different AIT, and the read-across is consider ed suitable. Moreover, the analogue has a similar Flash Point, which supports the extrapolation of AIT.
4. DATA MATRIX
Source: Reaction Mass of 1-((5,5)-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one and 1-((3,3)-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one
FP = 119°C for the test substance (Firmenich 2011)
Target: 1-[(5,5)-dimethyl-1-cyclohexen-1-yl]-pent-4-en-1-one
FP = 118°C (Envigo 2017a; please refer to IU section 4.11)
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. 265 °C
- Atm. press.:
- ca. 101.325 kPa
- Conclusions:
- (from analogue) The auto-ignition temperature of the target substance is expected to be ca 265°C.
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/DIN51794 methods (listed in EU A15 guideline). Test material was injected into a heated flask, until the lowest temperature at which ignition occurs was taken as the auto-ignition temperature.
The auto-ignition temperature of the test substance has been determined to be 265°C. Read-across is justified as the target substance is structurally similar (alpha isomer vs alpha+beta tested), as well as both flash points.
Referenceopen allclose all
Preliminary test
The estimated auto-ignition temperature was 280°C.
Main study
| Test | Volume (µL) | Auto-ignition temperature (°C) | Ignition delay (s) | Observations |
| 1 | 70 | 282 | 33 | orange-blue flame |
| 150 | 267 | 50 | orange-blue flame | |
| 300 | 274 | 31 | orange-blue flame | |
| 2 | 100 | 275 | 36 | orange-blue flame |
| 200 | 268 | 49 | orange-blue flame | |
| 400 | 271 | 47 | orange-blue flame | |
| 3 | 50 | 286 | 27 | orange-blue flame |
| 175 | 265 | 62 | orange-blue flame | |
| 350 | 274 | 34 | orange-blue flame |
Ignition of the test substance within 5 minutes after introduction was observed with each sample volume and with each test a minimum auto-ignition temperature was obtained. The maximum
deviation between the three values was < 10°C. According to the guidelines, no further testing was required.
The lowest temperature at which ignition of the test substance occurred was 265°C. This temperature was a multiple of 5°C and therefore given as the auto-ignition temperature of the test substance.
Description of key information
(from analogue) AIT expected ca 265°C
Key value for chemical safety assessment
- Autoflammability / Self-ignition temperature at 101 325 Pa:
- 265 °C
Additional information
No data is available on the substance itself. However, a fully reliable experimental study, conducted according to a recognized EU/IEC/DIN method and under GLP, is available on an analogue.
Based on chemical similarity, supported by flash points comparison, no significant difference is anticipated with the present dossier substance, so the read-across is considered justified and the result retained as key data.
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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