Registration Dossier
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EC number: 289-339-5 | CAS number: 87741-01-3
Long-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
Description of key information
The members of this category are gases at standard temperature and pressure and will predominantly partition to the atmosphere, what will limit their aquatic toxicity. Consequently, conducting aquatic ecotoxicity tests is technically difficult and based on exposure estimates the test may not be relevant. In addition, it is difficult to assess the toxicity of UVCB streams using standard test methods. Instead, it is more appropriate to consider the toxicity of representative constituents of these streams.
Due to the difficulty associated with conducting aquatic toxicity tests, experimental data is available only for a members of this category: Benzene (CAS 71-43-2). The 7-day NOEC for chronic toxicity for benzene for Ceriodaphnia dubia was 3 mg/L.
For the other members of this category, the use of QSAR to predict the ecotoxicity of representative constituents is an appropriate technique for aquatic toxicity. ECOSAR v.1.11 (Epi Suite 4.1) has been used as key QSAR. The representative constituents of the category studied and used as supporting read-across are But-1-ene (CAS 106-98-9), But-2-ene, cis- (CAS 590-18-1), But-2-ene, trans- (CAS 624-64-6), Buta-1,3-diene (CAS 106-99-0), Butane (CAS 106-97-8), Carbon Monoxide (CAS 630-08-0), Ethane (CAS 74-84-0), Ethene [aka Ethylene] (CAS 74-85-1), Methane (CAS 74-82-8), Pentane (CAS 109-66-0), Prop-1-ene (CAS 115-07-1), Prop-1-ene, 2-methyl- (CAS 115-11-7), Propane (CAS 74-98-6), Propane, 2-methyl- (CAS 75-28-5). The model predicted chronic value for long-term toxicity to aquatic invertebrates to range from 0.834 mg/L - 19.9 mg/L.
Key value for chemical safety assessment
Additional information
Experimental data
Niederlehner et al., (1998) followed a standard guideline to determine the reproductive toxicity of benzene to Ceriodaphnia dubia. The exposure concentrations were monitored and a 7 days NOEC of 38 µM was reported. This equates to a NOEC of 3 mg/L. This value was also the most conservative chronic endpoint for invertebrates identified in the EU RAR for benzene (2008).
QSAR data
The ECOSAR class program has been developed primarily for the evaluation of neutral organic compounds and organic classes with excess toxicity. The QSARs in the ECOSAR program are developed for chemical classes based on measured test data that have been submitted by industry or they are developed by other sources for chemicals with similar structures, e.g., phenols. Using the measured aquatic toxicity values and estimated Kow values, regression equations can be developed for a class of chemicals. Toxicity values for new chemicals may then be calculated by inserting the Kow value into the regression equation and correcting the resultant value for the molecular weight of the compound.
The predicted values were:
| Constituent Name | CAS number | ChV Aq. Inv. (mg/L) |
| But-1-ene | 106-98-9 | 1.91 |
| But-2-ene, cis- | 590-18-1 | 2.18 |
| But-2-ene, trans- | 624-64-6 | 2.18 |
| Buta-1,3-diene | 106-99-0 | 2.33 |
| Butane | 106-97-8 | 1.56 |
| Carbon Monoxide | 630-08-0 | 19.88 |
| Ethane | 74-84-0 | 4.37 |
| Ethene [aka Ethylene] | 74-85-1 | 4.51 |
| Methane | 74-82-8 | 5.98 |
| Pentane | 109-66-0 | 0.83 |
| Prop-1-ene | 115-07-1 | 3.33 |
| Prop-1-ene, 2-methyl- | 115-11-7 | 1.73 |
| Propane | 74-98-6 | 2.76 |
| Propane, 2-methyl- | 75-28-5 | 1.77 |
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