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EC number: 940-734-7 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Ecotoxicological Summary
Administrative data
Hazard for aquatic organisms
Freshwater
- Hazard assessment conclusion:
- no hazard identified
Marine water
- Hazard assessment conclusion:
- no hazard identified
STP
- Hazard assessment conclusion:
- no hazard identified
Sediment (freshwater)
- Hazard assessment conclusion:
- no hazard identified
Sediment (marine water)
- Hazard assessment conclusion:
- no hazard identified
Hazard for air
Air
- Hazard assessment conclusion:
- no hazard identified
Hazard for terrestrial organisms
Soil
- Hazard assessment conclusion:
- no hazard identified
Hazard for predators
Secondary poisoning
- Hazard assessment conclusion:
- no potential to cause toxic effects if accumulated (in higher organisms) via the food chain
Additional information
Measured acute (short-term) aquatic data are available for the effects of Shell GTL Solvent GS310 (Hydrocarbons, C18-C24, isoalkanes, <2% aromatics) on toxicity to fish, Daphnia and algae. The substance shows no effects at the highest concentrations tested, prepared as WAFs.
Long-term data for fish and Daphnia are read across from GTL-derived substances in the relevant carbon number range for the registered substance. These data also show no effects that would be relevant to the registration substance at the highest concentrations tested.
Measured terrestrial data with earthworms, honeybees and higher plants are also available for the registration substance.
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 of the IUCLID dossier.
The chronic toxicity of alkanes to fish, invertebrates (Daphnia) and algae can be predicted using the ECOSAR suite of QSARs developed by Syracuse Research Corporation. The QSARs take the form of a generic equation:
log NOEC = m log Kow + n
where m and n are constants equal to the slope and the intercept on the y axis of the regression equation and Kow is octanol-water partition coefficient of the alkane.
The constants employed in the ECOSAR QSARs for predicting the chronic toxicity of non-polar narcotics (relevant to alkanes) are shown in Table 7.14.
Table 7.14 Constants used in prediction of chronic toxicity of non-polar narcotics by ECOSAR
Organism |
m |
n |
Fish |
-0.851 |
0.606 |
Invertebrate |
-0.747 |
0.196 |
Algae |
-0.555 |
0.0063 |
These QSAR equations can be used in conjunction with Kow values derived using the SRC KOWWIN prediction software to predict NOEC values for alkanes.
The principle of log Kow-based cut-off values for toxic effects has been embraced by the ICCA and OECD high Production Volume (HPV) chemical programmes (e.g. UNEP, 2000). The US EPA has also accepted them in its Pollution Prevention Framework (http://www.epa.gov/oppt/p2framework/docs/casestu.htm). The ECOSAR QSAR applies a log Kow cut-off value of 8.0 beyond which chronic toxicity of neutral organics would not be expected because of limitations in bioavailability and uptake of the substance (Clements, 1996). These cut-offs are empirically derived and based on experimental test data (Personal communication Vince Nabholz, US EPA).
The previously available data on long-term toxicity to aquatic organisms with petroleum hydrocarbons has benefitted from recent studies undertaken by CONCAWE, and summarised in its report An Evaluation of the Persistence, Bioaccumulation and Toxicity of Petroleum Hydrocarbons (Concawe, 2019). The studies have tested a range of hydrocarbons with aquatic invertebrates and algae. The invertebrate studies tested substances with a carbon number range from C12 to C14 (2,2,4,6,6-pentamethylheptane and 2,6-dimethyldecane with C12 and n-octylcyclohexane for C14) with a range of log Kow; from 5.52 to 7.03. The algal studies tested substances with a carbon number range from C12 to C16 with a range of log Kow; from 5.52 to 7.49. The available results are summarised in Tables 7.15 and 7.16 Only structures that are relevant to GTL products have been retained in these tables; data for aromatic and polycyclic substances are also available.
Table 7.15 Chronic Daphnia toxicity data for aliphatic hydrocarbons
Carbon number |
Test substance |
Slow-Stir Water Solubility (µg/l) |
Mean Measured Exposure (µg/l) |
Chronic Daphnia toxicity observed? |
KOWWIN |
Ecosar predicted chronic value Daphnia (µg/l) |
Reference for measured data |
12 |
2,2,4,6,6-pentamethylheptane |
23 |
13 |
Yes |
5.94 |
10 |
SafePharm, 2004b |
12 |
2,6-dimethyldecane |
11 |
10 |
No |
6.09 |
8 |
EMBSI, 2007d |
13 |
2,6-dimethylundecane |
2.7 |
2 |
No |
6.58 |
4 |
EMBSI, 2006f |
13 |
2,6-dimethylundecane |
2.7 |
3 |
No |
6.58 |
4 |
EMBSI, 2007d |
14 |
n-octylcyclohexane |
1.4 |
3 |
No |
7.03 |
2 |
EMBSI, 2006f |
Table 7.16 Chronic algal toxicity for aliphatic hydrocarbons
Carbon number |
Test substance |
Slow-Stir Water Solubility (µg/l) |
Mean Measured Exposure (µg/l) |
Chronic Algal toxicity observed? |
KOWWIN |
Ecosar predicted chronic value algae (µg/l) |
Reference |
12 |
2,2,4,6,6-pentamethylheptane |
23 |
6 |
No |
5.94 |
90 |
SafePharm, 2004a |
12 |
2,2,4,6,6-pentamethylheptane |
23 |
146 |
Yes |
5.94 |
90 |
Tolls and van Dijk, 2002 |
12 |
2,6-dimethyldecane |
11 |
19 |
Yes |
6.09 |
70 |
EMBSI, 2009c |
13 |
n-heptylcylohexane |
6.2 |
64 |
Yes |
6.54 |
44 |
EMBSI, 2006e |
13 |
2,6- dimethylundecane |
2.7 |
16 |
No |
6.58 |
40 |
EMBSI, 2006d |
14 |
n-octylcyclohexane |
1.4 |
9 |
No |
7.03 |
25 |
EMBSI, 2006d |
13 |
2,6,10-trimethyldodecane |
0.3 |
23 |
No |
7.49 |
15 |
EMBSI, 2006c |
The new data indicate that in tests conducted at the maximum achievable concentration in test medium, no chronic effects are observed in Daphnia magna for substances with log Kow at or above 6.09 (KOWWIN predicted value), while for algae, chronic effects were not observed at or above log Kow = 6.58.
Table 7.17 shows predicted ECOSAR (v1.00) chronic values for some representative hydrocarbons in the relevant log Kow range. These indicate that fish is the most sensitive species, although by only a small margin. No new measured fish data are available, so it is not possible to determine the cut-off value for chronic fish toxicity. A reasonable approach is to therefore assume that the overall long-term ecotoxicity cut-off is equivalent to the value determined for algae, log Kow = 6.58.
Table 7.17 ECOSAR v1.00 predicted NOEC values for representative linear aliphatic hydrocarbons
Carbon number |
Substance |
Molecular weight |
log Kow(KOWWIN) |
NOEC fish (µg/l) |
NOEC Daphnia (µg/l) |
NOEC algae (µg/l) |
8 |
n-octane |
114.224 |
4.27 |
1.07E+02 |
1.16E+02 |
4.96E+02 |
9 |
n-nonane |
128.25 |
4.76 |
4.62E+01 |
5.61E+01 |
2.98E+02 |
10 |
n-decane |
142.276 |
5.25 |
1.96E+01 |
2.68E+01 |
1.77E+02 |
11 |
n-undecane |
156.302 |
5.74 |
8.25E+00 |
1.27E+01 |
1.04E+02 |
12 |
n-dodecane |
170.328 |
6.23 |
3.44E+00 |
5.95E+00 |
6.05E+01 |
13 |
n-tridecane |
184.354 |
6.73 |
1.40E+00 |
2.72E+00 |
3.46E+01 |
14 |
n-tetradecane |
198.38 |
7.22 |
5.77E-01 |
1.26E+00 |
1.99E+01 |
Table 7.18 shows the calculated log Kow values for relevant constituents of the GTL products, and Table 7.19 summarises the toxicity assessment in relation to the PBT criteria in Annex XIII of the REACH Regulation.
It can be seen that constituents up to C13 have predicted log Kow below the cut-off for chronic toxicity, but all constituents at C14 and above, and therefore all constituents of Hydrocarbons, C18-C24, isoalkanes <2% aromatics, are predicted to be non-toxic to aquatic organisms. Using the ECOSAR equation for neutral organics, some constituents in the range C11-C13 meet the criteria for “T”. The explanation for lack of effects at high C number is a combination of decreasing water solubility (poor bioavailability) and low rate of uptake.
Table 7.18 KOWWIN calculated log Kowvalues for constituents in the range C6 to C26
|
6 |
7 |
8 |
9 |
10 |
11 |
12 |
13 |
14 |
15 |
16 |
17 |
18 |
19 |
20 |
21 |
22 |
23 |
24 |
25 |
26 |
No. of branches |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
0 |
3.29 |
3.78 |
4.27 |
4.76 |
5.25 |
5.74 |
6.23 |
6.73 |
7.22 |
7.71 |
8.2 |
8.69 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
1 |
3.22 |
3.71 |
4.2 |
4.69 |
5.18 |
5.67 |
6.16 |
6.65 |
7.14 |
7.63 |
8.13 |
8.62 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
2 |
3.14 |
3.63 |
4.12 |
4.61 |
5.11 |
5.6 |
6.09 |
6.58 |
7.07 |
7.56 |
8.05 |
8.54 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
3 |
|
|
4.05 |
4.54 |
5.03 |
5.52 |
6.01 |
6.51 |
7.00 |
7.49 |
7.98 |
8.47 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
4 |
|
|
|
|
|
|
|
|
6.92 |
7.41 |
7.91 |
8.4 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
Nominal cyclopentane structure (linear) |
|
|
4.08 |
4.58 |
5.07 |
5.56 |
6.05 |
6.54 |
7.03 |
7.52 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
Nominal cyclopentane structure (branched) |
|
|
4.01 |
4.5 |
4.99 |
5.48 |
5.98 |
6.47 |
6.96 |
7.45 |
7.94 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
Nominal cyclohexane structure (linear) |
|
|
4.08 |
4.58 |
5.07 |
5.56 |
6.05 |
6.54 |
7.03 |
7.52 |
>8.0 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
Nominal cyclohexane structure (branched) |
|
|
|
4.5 |
4.99 |
5.48 |
5.98 |
6.47 |
6.96 |
7.45 |
7.94 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
>8 |
Below chronic toxicity cutoff |
Table 7.19 Predicted NOEC values (µg/l) and T assessment*
Some measured data e.g. for C13 may not agree with the prediction but for consistency predicted data are presented unamended.
|
6 |
7 |
8 |
9 |
10 |
11 |
12 |
13 |
14 |
15 |
≥16 |
No. of branches |
|
|
|
|
|
|
|
|
|
|
|
0 |
5.53E+02 |
2.46E+02 |
1.07E+02 |
4.62E+01 |
1.96E+01 |
8.25E+00 |
3.44E+00 |
1.40E+00 |
>WS |
>WS |
>WS |
1 |
6.34E+02 |
2.82E+02 |
1.23E+02 |
5.30E+01 |
2.25E+01 |
9.47E+00 |
3.95E+00 |
1.64E+00 |
>WS |
>WS |
>WS |
2 |
7.42E+02 |
3.30E+02 |
1.44E+02 |
6.20E+01 |
2.58E+01 |
1.09E+01 |
4.53E+00 |
1.88E+00 |
>WS |
>WS |
>WS |
3 |
|
|
1.65E+02 |
7.11E+01 |
3.02E+01 |
1.27E+01 |
5.30E+00 |
2.15E+00 |
>WS |
>WS |
>WS |
4 |
|
|
|
|
|
|
|
|
>WS |
>WS |
>WS |
Nominal cyclopentane structure (linear) |
|
|
1.53E+02 |
6.47E+01 |
2.75E+01 |
1.16E+01 |
4.84E+00 |
2.01E+00 |
>WS |
>WS |
>WS |
Nominal cyclopentane structure (branched) |
|
|
1.76E+02 |
7.57E+01 |
3.22E+01 |
1.36E+01 |
5.55E+00 |
2.30E+00 |
>WS |
>WS |
>WS |
Nominal cyclohexane structure (linear) |
|
|
1.53E+02 |
6.47E+01 |
2.75E+01 |
1.16E+01 |
4.84E+00 |
2.01E+00 |
>WS |
>WS |
>WS |
Nominal cyclohexane structure (branched) |
|
|
|
7.57E+01 |
3.22E+01 |
1.36E+01 |
5.55E+00 |
2.30E+00 |
>WS |
>WS |
>WS |
*T if NOEC ≤0.01 mg/l (1.00E+01 µg/l)
>WS indicates predicted NOEC value exceeds water solubility of consituent
Candidate T
|
Reference
Concawe, 2019. An Evaluation of the Persistence, Bioaccumulation and Toxicity of Petroleum Hydrocarbons (Revision 2).
Conclusion on classification
Hydrocarbons, C18-C24, isoalkanes, <2% aromatics should not be classified in the EU for acute or chronic toxicity according to Regulation (EC) No. 1272/2008 (as amended) on the basis of measured short-term and read-across long-term ecotoxicity data as reported in Section 6.1.
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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