Registration Dossier
Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 940-727-9 | CAS number: -
Endpoint summary
Administrative data
Description of key information
Additional information
Discussion of physicochemical properties of whole substance
The substance is a complex mixture of hydrocarbons with carbon numbers in the range C12 to C15. It is a liquid, with a pour point of <0°C and a boiling range of 229-248°C at 101.8 kPa. The measured relative density of the substance is 0.763 at 20±0.5°C and measured kinematic viscosity values are 2.2 mm²/s at 25ºC and 1.7 mm²/s at 40ºC.
The substance has measured vapour pressure values of 4 Pa at 20°C, 6.7 Pa at 25ºC and 58 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 ≥5.91 to ≤7.2 at 35°C and pH 7.7. 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 86±2°C and a measured boiling range of 229 - 248°C at 101.8 kPa. In addition, Hydrocarbons, C12-C15, n-alkanes, isoalkanes, <2% aromatics does not sustain burning >15 seconds. It has a measured auto-ignition temperature of 200 ± 5°C at 97.1 – 100.8 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, these substances have been assessed using the PETRORISK model. An example is attached in Section 13 of the IUCLID dossier.
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 Kow values in the range 5.11 to 9.18 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 constituent of the substance have predicted water solubility values of <1E-04 to 1.5E-01 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 3.4E-02 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, C12-C15, 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 |
15 |
2 |
13 |
0 |
9.79E-01 |
7.71 |
2.7E-04 |
16 |
2 |
14 |
0 |
3.21E-01 |
8.20 |
8.2E-05 |
17 |
2 |
15 |
0 |
1.05E-01 |
8.69 |
2.4E-05 |
18 |
2 |
16 |
0 |
3.44E-02 |
9.18 |
7.3E-06 |
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 |
15 |
3 |
11 |
1 |
1.23E+00 |
7.63 |
3.3E-04 |
16 |
3 |
12 |
1 |
4.03E-01 |
8.13 |
9.9E-05 |
17 |
3 |
13 |
1 |
1.32E-01 |
8.62 |
2.9E-05 |
18 |
3 |
14 |
1 |
4.32E-02 |
9.11 |
8.8E-06 |
10 |
3 |
5 |
2 |
3.06E+02 |
5.11 |
1.5E-01 |
11 |
3 |
6 |
2 |
1.00E+02 |
5.60 |
4.6E-02 |
12 |
3 |
7 |
2 |
3.28E+01 |
6.09 |
1.4E-02 |
13 |
3 |
8 |
2 |
1.07E+01 |
6.58 |
4.3E-03 |
14 |
3 |
9 |
2 |
3.52E+00 |
7.07 |
1.3E-03 |
15 |
3 |
10 |
2 |
1.15E+00 |
7.56 |
4.0E-04 |
16 |
3 |
11 |
2 |
3.77E-01 |
8.05 |
1.2E-04 |
17 |
3 |
12 |
2 |
1.23E-01 |
8.54 |
3.6E-05 |
18 |
3 |
13 |
2 |
4.04E-02 |
9.03 |
1.1E-05 |
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
