Registration Dossier
Registration Dossier
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EC number: 201-746-1 | CAS number: 87-44-5
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour: The test item is a colourless to pale yellowish clear liquid.
Melting point / freezing point: The test item has no melting point down to -100°C at atmospheric pressure.
Boiling point: The boiling point of the test item was determined to be 253 to 262°C at atmospheric pressure.
Density: The relative density of the test item was determined to be 0.9010 at 20 °C.
Granulometry: This endpoint is waived as the substance is marketed or sold in a non-solid or granular form.
Vapour pressure: The vapour pressure of the test item was determined to be 0.06, 0.09 and 0.45 hPa at 20, 25 and 50°C, respectively.
Partition coefficient: The log partition coefficient of the test material was determined to be 6.23 ± 0.15 at 25°C.
Water solubility: The water solubility was determined to be 0.088 mg/L at 20°C and pH 7.0.
Surface tension: This endpoint is waived as based on substance structure, surface activity is not expected.
Flash point: The flashpoint of the test item was determined to be 105.5°C at 1010 hPa.
Auto-flammability: The auto-ignition temperature of the test item was determined to be 215°C.
Flammability: This endpoint is waived as the substance is a liquid.
Explosiveness: This endpoint is waived as there are no chemical groups present in the molecule that are associated with explosive properties.
Oxidising properties: This endpoint is waived as the substance is incapable of reacting exothermically with combustible materials and there are no chemical groups present in the molecule which are associated with oxidising properties.
Additional information
Appearance / physical state / colour: This study is reliable without restriction (Klimisch 1) as the appearance and physical state of the substance has been taken from the test material section of a GLP-compliant report and the test identity was described with sufficient detail (2002). The test item is a colourless to pale yellowish clear liquid.
Melting point / freezing point: Melting point was determined by differential scanning calorimetry according to OECD Guideline 102 and EU Method A.1 (2017). The test item has no melting point down to -100°C at atmospheric pressure. The study was not performed under GLP, however the test facility was GLP-compliant. The study is considered to be reliable without restrictions (Klimisch 1).
Boiling point: Boiling point was determined by differential scanning calorimetry according to OECD Guideline 103 and EU Method A.2 (2017). The boiling point of the test item was determined to be 253 to 262°C at atmospheric pressure. The study was not performed under GLP, however the test facility was GLP-compliant. The study is considered to be reliable without restrictions (Klimisch 1).
Density: The relative density of the test item was determined to be 0.9010 at 20 °C (compared to water at 4 °C) using an oscillating densitometer (2017). The study was not performed under GLP, however the test facility was GLP-compliant. The study was performed according to OECD Guideline 109 and EU Method A.3 and is considered to be reliable without restrictions (Klimisch 1).
Granulometry: This endpoint is waived as the substance is marketed or sold in a non-solid or granular form.
Vapour pressure: Vapour pressure was determined by vapour-liquid equilibrium (dynamic method) according to OECD Guideline 104 and EU Method A.4 (2017). The vapour pressure of the test item was determined to be 0.06, 0.09 and 0.45 hPa at 20, 25 and 50°C, respectively, calculated by extrapolation of the measured vapour pressure curve. The study was not performed under GLP, however the test facility was GLP-compliant. The study is considered to be reliable without restrictions (Klimisch 1).
Partition coefficient: The partition coefficient (n-octanol/water) was tested according to OECD TG 123 (2017). The log partition coefficient of the test material was determined to be 6.23 ± 0.15 at 25°C. This study is assigned a reliability of 1 (reliable without restrictions) as it followed an accepted guideline and was GLP-compliant.
Water solubility: Water solubility was tested using the flask method according to OECD TG 105 and EU Method A.6 (2002). This study is assigned a reliability score of 1 as it followed an accepted guideline and was GLP-compliant. The water solubility of the test item was determined to be 0.088 mg/L at 20°C and pH 7.0. A supporting study is available using a common approach for preparation of ecotoxicological test media of poorly soluble test items (2017). The water solubility was reported to be 0.094 mg/L in ultrapure water at room temperature, as determined by the slow-stirring method. This study is assigned a reliability of 2 (reliable with restrictions) as it is not GLP-compliant, did not follow a guideline and only one replicate was tested, however the experimental design and results are adequate and well-reported.
Surface tension: This endpoint is waived as based on substance structure, surface activity is not expected.
Flash point: Flashpoint was determined by closed cup (Pensky Martens) method according to EU Method A.9 and DIN EN ISO 2719 (2017). The flashpoint of the test item was determined to be 105.5°C at 1010 hPa. The study was not performed under GLP, however the test facility was GLP-compliant. The study is considered to be reliable without restrictions (Klimisch 1).
Auto-flammability: Auto-ignition was determined according to EU Method A.15, DIN 51794 and DIN EN 14522 (2017). The auto-ignition temperature of the test item was determined to be 215°C at 1021.1 to 1022.1 hPa. The study was not performed under GLP, however the test facility was GLP-compliant. The study is considered to be reliable without restrictions (Klimisch 1). According to ECHA guidance "Guidance on Information Requirements and Chemical Safety Assessment; Chapter R.7A: Endpoint specific guidance" (December 2016), the auto-ignition temperature for liquids is not used directly for classification and labeling according to regulation (EC) 1272/2008, however it can be used in the chemical safety assessment. According to DIN EN 13463 the test item is classified as temperature class T3.
Flammability: This endpoint is waived as the substance is a liquid. With a measured flash point > 60°C, the test item does not have to be classified as a flammable liquid according to GHS or CLP Regulation EC 1272/2008 Annex 1.
Explosiveness: This endpoint is waived as there are no chemical groups present in the molecule that are associated with explosive properties.
Oxidising properties: This endpoint is waived as the substance is incapable of reacting exothermically with combustible materials and there are no chemical groups present in the molecule which are associated with oxidising properties.
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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