Registration Dossier
Registration Dossier
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EC number: 268-407-8 | CAS number: 68083-58-9
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour: 1,3-dimethyl-3-phenylbutyl acetate is a colourless to pale yellow liquid under ambient conditions.
Melting point/freezing point: 1,3-dimethyl-3-phenylbutyl acetate has a melting point of -82.0 °C at 1013 hPa.
Boiling point: 1,3-dimethyl-3-phenylbutyl acetate has a boiling point of 246 to 265 °C at 1013 hPa.
Density: The relative density (4D20) of 1,3-dimethyl-3-phenylbutyl acetate at 20 ± 0.1 ºC (compared to water at 4 ºC) is 0.98.
Vapour pressure: The vapour pressure of1,3-dimethyl-3-phenylbutyl acetate was determined to be 3.7 Pa at 20 °C, 5.4 Pa at 25 °C and 29.7 Pa at 50 °C.
Partition coefficient: The partition coefficient (log Pow) for 1,3-dimethyl-3-phenylbutyl acetate was determined to be 3.55 at 22.4 ºC.
Water solubility: The water solubility of 1,3-dimethyl-3-phenylbutyl acetate was determined to be 84.5 mg/L at 20.0 ± 0.5 °C and pH 6.4.
Surface tension: The surface tension of a 90 % saturated aqueous solution (76.1 mg/L) of 1,3-dimethyl-3-phenylbutyl acetate was determined to be 50.69 mN/m (standard deviation ± 0.04) at 20 ºC.
Flash point: The flash point of 1,3-dimethyl-3-phenylbutyl acetate was determined to be 126.0 °C at 1013 hPa.
Auto-flammability: The auto-ignition temperature of 1,3-dimethyl-3-phenylbutyl acetate was determined to be 410°C at 994.6 hPa.
Additional information
Physico-chemical endpoints are completed for this substance based on test data following standard guidelines, or data waivers. All data are therefore considered to be reliable and relevant for the endpoint concerned.
Appearance / physical state / colour
1,3-dimethyl-3-phenylbutyl acetate is a colourless to pale yellow liquid under ambient conditions. The data are taken from substance identification information in an OECD102 (1995), guideline study available as an unpublished report (2014).
Melting point/freezing point
1,3-dimethyl-3-phenylbutyl acetate has a melting point of -82.0 °C at 1013 hPa.The melting point was determined in a thermal analysis test, using differential scanning calorimetry following OECD guideline 102 (2014).
Boiling point
1,3-dimethyl-3-phenylbutyl acetate has a boiling point of 246 to 265 °C at 1013 hPa.The boiling point was determined in a thermal analysis test, using differential scanning calorimetry following OECD guideline 103 (2014).
Density
The relative density (4D20) of 1,3-dimethyl-3-phenylbutyl acetate at 20 ± 0.1 ºC (compared to water at 4 ºC) is 0.98.The relative density was determined with a calibrated oscillating densitimeter according to OECD guideline 109 (2014).
Granulometry
The particle size distribution test has been waived because the substance is not manufactured or used in a solid form.
Vapour pressure
The vapour pressure of1,3-dimethyl-3-phenylbutyl acetate was determined to be 3.7 Pa at 20 °C, 5.4 Pa at 25 °C and 29.7 Pa at 50 °C.The vapour pressure of the test item was determined in a vapour/liquid equilibrium apparatus following OECD guideline 104 (2014).
Partition coefficient
The partition coefficient (log Pow) for 1,3-dimethyl-3-phenylbutyl acetate was determined to be 3.55 at 22.4 ºC.The partition coefficient of the test item was determined using the HPLC method following OECD guideline 117 (2015).
Water solubility
The water solubility of 1,3-dimethyl-3-phenylbutyl acetate was determined to be 84.5 mg/L at 20.0 ± 0.5 °C and pH 6.4.The water solubility of the test item was determined in a GLP study (2015) following OECD guideline 105.
Surface tension
The surface tension of a 90 % saturated aqueous solution (76.1 mg/L) of 1,3-dimethyl-3-phenylbutyl acetate was determined to be 50.69 mN/m (standard deviation ± 0.04) at 20 ºC. As the surface tension is < 60 mN/m, the test item is classified as a surface-active substance.The surface tension was determined using the harmonised ring method according to OECD guideline 115 (2015).
Flash point
The flash point of 1,3-dimethyl-3-phenylbutyl acetate was determined to be 126.0 °C at 1013 hPa.The flash point of the test item was determined using the closed cup, Pensky Martens method which corresponds to the regulation EC 440/2008 Method A.9 (2014).With a measured flash point ≥ 60°C the test item does not have to classified as a flammable liquid under GHS (CLP Regulation EC 1272/2008 Annex 1:2.6) or UN Transport Regulations. With a measured flash point ≥ 55 °C the test item does not have to be classified as a flammable liquid under Regulation EC 440/2008 and Directive 67/548/EEC.
Auto-flammability
The auto-ignition temperature of 1,3-dimethyl-3-phenylbutyl acetate was determined to be 410°C at 994.6 hPa.The auto-ignition temperature of the test item was determined according to Regulation EC No. 440/2008 Method A.15. Auto-Ignition Temperature (Liquids and Gases) and DIN 51794 (2003): Determination of Ignition Temperature (2014).
Flammability
The flammability study for 1,3-dimethyl-3-phenylbutyl acetate has been waived as the substance is a liquid and flammability classification has been based on flash point data.
Explosiveness
Based on the structure of the substance, the explosiveness study has not been conducted as 1,3-dimethyl-3-phenylbutyl acetate has no structural alerts that would indicate explosive properties.
Oxidising Properties
Based on the structure of the substance, the oxidising properties have not been conducted as 1,3-dimethyl-3-phenylbutyl acetate has no structural alerts that would indicate oxidising properties.
Classification and labelling
The substance is not classified for physico-chemical hazards. Based on the structure of the substance, it does not meet the criteria for oxidising or explosive properties and based on experimental data, the substance does not meet the criteria for a flammable liquid. Experience in manufacture and handling shows that the substance is not a self-heating solid.
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