Registration Dossier
Registration Dossier
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EC number: 295-405-4 | CAS number: 92045-23-3 A complex combination of hydrocarbons produced by the distillation of the products of a steam cracking process. It consists predominantly of hydrocarbons having a carbon number of C4, predominantly 1-butene and 2-butene, containing also butane and isobutene and boiling in the range of approximately minus 12°C to 5°C (10.4°F to 41°F).
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Remarks:
- other: Calculation
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Calculation following method set out in the Technical Guidance Document
- Justification for type of information:
- Calculation following the Sabljic et al. (1995) method as set out in the Technical Guidance Document (ECB 2003).
- Principles of method if other than guideline:
- Calculation following the Sabljic et al. (1995) method as set out in the Technical Guidance Document (ECB 2003).
- GLP compliance:
- no
- Remarks:
- Calculation
- Type of method:
- other: Calculation
- Media:
- other: Calculation
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material:
No data reported - Radiolabelling:
- no
- Test temperature:
- No data reported
- Details on study design: HPLC method:
- No data reported
- Analytical monitoring:
- not required
- Details on sampling:
- No data reported
- Details on matrix:
- No data reported
- Details on test conditions:
- No data reported
- Computational methods:
- Log Koc = 0.81*log Kow + 0.10
Sabljic et al. (1995) correlated log Koc values of 19 chemical classes with log Kow values and obtained reasonably good correlations. The equation used here is for predominantly hydrophobics, such as hydrocarbons and halogenated hydrocarbons, with n=81, R2 = 0.887 and s = 0.451. - Type:
- Koc
- Value:
- 51.5
- Details on results (HPLC method):
- No data reported
- Adsorption and desorption constants:
- No data reported
- Recovery of test material:
- No data reported
- Concentration of test substance at end of adsorption equilibration period:
- No data reported
- Concentration of test substance at end of desorption equilibration period:
- No data reported
- Transformation products:
- not specified
- Details on results (Batch equilibrium method):
- No data reported
- Statistics:
- No data reported
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculation
- Conclusions:
- The calculated Koc of 1,3-butadiene is 51.5 based on a measured log Kow of 1.99.
- Executive summary:
The Koc for 1,3 -butadiene has been calculated based on the log Kow using the Sabljic et al. (1995) method as set out in the Technical Guidance Document (ECB 2003).
- Endpoint:
- adsorption / desorption: screening
- Remarks:
- other: Regulatory review
- Type of information:
- not specified
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The data are taken from a regulatory review document and therefore, although the original data have not been reviewed, the data are considered to be reliable.
- Justification for type of information:
- Log additional adsorption / desorption values for sediment, suspended matter and soil are reported in the EU RAR (2002). The data are taken from a regulatory review document and therefore, although the original data have not been reviewed, the data are considered to be reliable.
- Principles of method if other than guideline:
- The Risk Assessment Report is the result of in-depth work carried out by experts in one Member State, working in co-operation with their counterparts in the other Member States, the Commission Services, Industry and public interest groups. The Risk Assessment was carried out in accordance with Council Regulation (EEC) 793/931 on the evaluation and control of the risks of “existing” substances. The methods for carrying out an in-depth Risk Assessment at Community level are laid down in Commission Regulation (EC) 1488/942, which is supported by a technical guidance document. Normally, the “Rapporteur” and individual companies producing, importing and/or using the chemicals work closely together to develop a draft Risk Assessment Report, which is then presented at a Meeting of Member State technical experts for endorsement. The Risk Assessment Report is then peer-reviewed by the Scientific Committee on Toxicity, Ecotoxicity and the Environment (CSTEE) which gives its opinion to the European Commission on the quality of the risk assessment.
- GLP compliance:
- not specified
- Type of method:
- other: Regulatory review
- Media:
- other: Regulatory review
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material:
No data reported - Test temperature:
- No data reported
- Details on study design: HPLC method:
- No data reported
- Analytical monitoring:
- not specified
- Details on sampling:
- No data reported
- Details on matrix:
- No data reported
- Details on test conditions:
- No data reported
- Computational methods:
- No data reported
- Type:
- log Koc
- Remarks:
- sediment
- Value:
- 2.58
- Type:
- log Koc
- Remarks:
- suspended matter
- Value:
- 5.16
- Type:
- log Koc
- Remarks:
- soil
- Value:
- 1.03
- Details on results (HPLC method):
- No data reported
- Adsorption and desorption constants:
- No data reported
- Recovery of test material:
- No data reported
- Concentration of test substance at end of adsorption equilibration period:
- No data reported
- Concentration of test substance at end of desorption equilibration period:
- No data reported
- Transformation products:
- not specified
- Details on results (Batch equilibrium method):
- No data reported
- Statistics:
- No data reported
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Log additional adsorption / desorption values for sediment, suspended matter and soil of 2.58, 5.16 and 1.03 L/kg respectively are reported here as reported in the EU RAR, 2002.
- Executive summary:
Log additional adsorption / desorption values for sediment, suspended matter and soil are reported in the EU RAR (2002). The data are taken from a regulatory review document and therefore, although the original data have not been reviewed, the data are considered to be reliable. The Risk Assessment Report is the result of in-depth work carried out by experts in one Member State, the Commission Services, Industry and public interest groups in accordance with Council Regulation (EEC) 793/931 on the evaluation and control of the risks of “existing” substances following the methods laid down in Commission Regulation (EC) 1488/942 and the technical guidance document. The draft Risk Assessment Reports are presented at a Meeting of Member State technical experts for endorsement and peer-reviewed by the Scientific Committee on Toxicity, Ecotoxicity and the Environment (CSTEE).
Referenceopen allclose all
Description of key information
The members of this category are gases at standard temperature and pressure and will predominantly partition to the atmosphere. The use of QSAR to predict the soil adsorption coefficient of representative constituents of these streams is an appropriate technique and it is more appropriate to consider the soil adsorption of representative constituents of these streams.
The representative constituents of the category studied and used as supporting read-across are But-1-en-3-yne (CAS 689-97-4), But-1-ene (CAS 106-98-9), But-2-ene, cis- (CAS 590-18-1), But-2-ene, trans- (CAS 624-64-6), Buta-1,2-diene (CAS 590-19-2), Buta-1,3-diene (CAS 106-99-0), Butane (CAS 106-97-8), Prop-1-ene, 2-methyl- (CAS 115-11-7), Propane, 2-methyl- (CAS 75-28-5).
The log Koc of representative constituents of this category has been predicted using the EPISUITE v4.11 KOCWIN (2017) program, which uses methodology described by Sahljic et al., (1995) and Meylan et al. (1995). The predicted log Koc for this category ranged from 1.21 - 2.51 (Kow method) and 1.5 - 1.79 (MCI method).
In addition, values cited in EU RAR indicate that adsorption to soil and sediment for 1,3 -Butadiene (CAS 106 -99 -0) is not likely to be important. As the substance is a gas, it will preferentially partition to and rapidly volatilize to the atmosphere.
Key value for chemical safety assessment
Additional information
For 1,3 -Butadiene (CAS 106 -99 -0), the Koc was predicted to be 51.6 using the log Kow of 1.99. Log additional adsorption / desorption values for sediment, suspended matter and soil of 2.58, 5.16 and 1.03 L/kg respectively are reported here as reported in the EU RAR, 2002.
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