Registration Dossier
Registration Dossier
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EC number: 940-726-3 | CAS number: 1174522-09-8
Endpoint summary
Administrative data
Description of key information
The substance is a complex mixture of hydrocarbons with carbon numbers in the range C10 to C13. It is a liquid, with a pour point of <-20°C and a boiling range of 199-219°C at 101.8 kPa. The measured relative density of the substance is 0.75 at 20.2 ± 0.5°C and measured kinematic viscosity values are 1.6 mm²/s at 25ºC and 1.3 mm²/s at 40ºC.
The substance has measured vapour pressure values of 34 Pa at 20°C, 51 Pa at 25ºC and 300 Pa at 50°C. It has a measured water solubility value of <0.1 mg/l at 20±0.5°C and a measured log Kow of ≥5.57 to ≤6.62 at 35°C and pH 7.3. It is not considered to be surface active.
The substance is not classified as a flammable liquid according to Regulation (EC) No. 1272/2008 on the basis of measured flash point of >61°C and a measured boiling range of 199 - 219°C at 101.8 kPa. The substance does, however, meet the criterial for Flammable Liquid Category 4 (H227: Combustible liquid) according to the Globally Harmonised System for Classification and Labelling (UNECE, 2017). In addition, Hydrocarbons, C10-C13, n-alkanes, isoalkanes, <2% aromatics does not sustain burning >15 seconds. It has a measured auto-ignition temperature of 212 ± 5°C at 100.6 – 101.9 kPa. Based on its structure and safe handling in use it is not considered to exhibit explosive or oxidising properties or be flammable in contact with air or moisture.
Additional information
Discussion of physicochemical properties of whole substance
The substance is a complex mixture of hydrocarbons with carbon numbers in the range C10 to C13. It is a liquid, with a pour point of <-20°C and a boiling range of 199-219°C at 101.8 kPa. The measured relative density of the substance is 0.75 at 20.2 ± 0.5°C and measured kinematic viscosity values are 1.6 mm²/s at 25ºC and 1.3 mm²/s at 40ºC.
The substance has measured vapour pressure values of 34 Pa at 20°C, 51 Pa at 25ºC and 300 Pa at 50°C. It has a measured water solubility value of <0.1 mg/l at 20±0.5°C and a measured log Kow of ≥5.57 to ≤6.62 at 35°C and pH 7.3. It is not considered to be surface active.
The substance is not classified as a flammable liquid according to Regulation (EC) No. 1272/2008 on the basis of measured flash point of >61°C and a measured boiling range of 199 - 219°C at 101.8 kPa. The substance does, however, meet the criterial for Flammable Liquid Category 4 (H227: Combustible liquid) according to the Globally Harmonised System for Classification and Labelling (UNECE, 2017). In addition, Hydrocarbons, C10-C13, n-alkanes, isoalkanes, <2% aromatics does not sustain burning >15 seconds. It has a measured auto-ignition temperature of 212 ± 5°C at 100.6 – 101.9 kPa. Based on its structure and safe handling in use it is not considered to exhibit explosive or oxidising properties or be flammable in contact with air or moisture.
Physicochemical properties of constituents
For the purposes of the Chemical Safety Assessment, a model composition for the substance has been assessed using the PETRORISK model (Version 7.04), which is attached in Section 13.
As supporting information, predicted property data for vapour pressure, water solubility, n-octanol/water partition coefficient (log Kow) and Henry’s Law constant (HLC) were obtained for the constituents using separately validated Quantitative Structure Activity Relationships (QSARs) as described below.
Partition coefficient
The individual constituents of the substance have predicted log Kowvalues of 5.11 to 7.22 at 20°C using a validated QSAR estimation method. Further details about the prediction are in the QMRF and QPRF attached to the IUCLID dossier.
Water solubility
The individual constituents of the substance have predicted water solubility values of 0.0009 to 0.10 mg/l at 20°C. Therefore, the constituents are considered insoluble in water on the basis of available predicted results. Further details about the prediction are in the QMRF and QPRF attached to the IUCLID dossier.
Vapour pressure
The individual constituents of the substance have predicted vapour pressure values of 3.0 Pa to 330 Pa at 25°C using a validated QSAR estimation method. Further details about the prediction are in the QMRF and QPRF attached to the IUCLID dossier.
Henry’s Law Constant (HLC)
Values can be calculated from the other physicochemical properties using the expression:
HLC (Pa.m3/mol) = [VP (Pa) x MW (g/mol)] ÷ [WS (mg/l)]
Where:
VP= vapour pressure;MW= molecular weight;WS= water solubility
Summary of relevant properties of constituents
The data are summarised in the table below
Table: Predicted physicochemical properties for constituents of Hydrocarbons, C10-C13, n-alkanes, isoalkanes, <2% aromatics
Carbon Number |
CH3 |
CH2 |
branched |
Vapour pressure (Pa) at 25°C |
log Kow |
Water solubility at 20°C (mg/l) |
10 |
2 |
8 |
0 |
2.61E+02 |
5.25 |
1.0E-01 |
11 |
2 |
9 |
0 |
8.53E+01 |
5.74 |
3.2E-02 |
12 |
2 |
10 |
0 |
2.79E+01 |
6.23 |
9.7E-03 |
13 |
2 |
11 |
0 |
9.14E+00 |
6.73 |
3.0E-03 |
14 |
2 |
12 |
0 |
2.99E+00 |
7.22 |
9.0E-04 |
10 |
3 |
6 |
1 |
3.27E+02 |
5.18 |
1.2E-01 |
11 |
3 |
7 |
1 |
1.07E+02 |
5.67 |
3.8E-02 |
12 |
3 |
8 |
1 |
3.51E+01 |
6.16 |
1.2E-02 |
13 |
3 |
9 |
1 |
1.15E+01 |
6.65 |
3.6E-03 |
14 |
3 |
10 |
1 |
3.76E+00 |
7.14 |
1.1E-03 |
10 |
4 |
4 |
2 |
3.06E+02 |
5.11 |
1.5E-01 |
11 |
4 |
5 |
2 |
1.00E+02 |
5.60 |
4.6E-02 |
12 |
4 |
6 |
2 |
3.28E+01 |
6.09 |
1.4E-02 |
13 |
4 |
7 |
2 |
1.07E+01 |
6.58 |
4.3E-03 |
14 |
4 |
8 |
2 |
3.52E+00 |
7.07 |
1.3E-03 |
UNECE, 2017. Globally Harmonised System of Classification and Labelling of Chemicals, Rev. 5, United Nations, 2017
https://www.unece.org/trans/danger/publi/ghs/ghs_rev07/07files_e0.html#c61353
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