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EC number: 270-736-7 | CAS number: 68477-53-2 A complex combination of organic compounds obtained by the distillation of products from a steam cracking process. It consists of unsaturated hydrocarbons having carbon numbers predominantly in the range of C5 through C12.
- 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
Sediment toxicity
Administrative data
Link to relevant study record(s)
- Endpoint:
- sediment toxicity: long-term
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached justification.
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- not specified
- Specific details on test material used for the study:
- HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 7 2.49
8 4.24
9 66.33
10 5.12
Naphthenic Mono-Aromatic (NMAr) 9 19.58
Total 97.76
The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity. - Test organisms (species):
- Lumbriculus variegatus
- Duration:
- 28 d
- Duration:
- 28 d
- Dose descriptor:
- other: LL50
- Effect conc.:
- 163 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality
- Remarks on result:
- other: QSAR prediction value
- Duration:
- 28 d
- Dose descriptor:
- other: EL10
- Effect conc.:
- 31.2 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: biomass/ reproduction
- Remarks on result:
- other: QSAR prediction value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 163 and 31.2 mg/kg sediment dw respectively.
- Executive summary:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB substance for L. variegatus were 163 and 31.2 mg/kg sediment dw, respectively. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.
- Endpoint:
- sediment toxicity: long-term
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached justification.
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- not specified
- Specific details on test material used for the study:
- HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 6 0.44
7 2.99
8 5.10
9 83.11
10 0.95
Naphthenic Mono-Aromatic (NMAr) 9 2.40
Di-Aromatic (DiAr) 10 1.13
n-Olefin 10 0.54
n-Paraffin (n-P) 10 0.14
11 0.33
Total 97.12
The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity. - Test organisms (species):
- Lumbriculus variegatus
- Duration:
- 28 d
- Duration:
- 28 d
- Dose descriptor:
- other: LL50
- Effect conc.:
- 162 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality
- Remarks on result:
- other: QSAR prediction value
- Duration:
- 28 d
- Dose descriptor:
- other: EL10
- Effect conc.:
- 31.1 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: biomass/ reproduction
- Remarks on result:
- other: QSAR prediction value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 162 and 31.1 mg/kg sediment dw respectively.
- Executive summary:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB substance for L. variegatus were 162 and 31.1 mg/kg sediment dw, respectively. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.
- Endpoint:
- sediment toxicity: long-term
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached justification.
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- not specified
- Specific details on test material used for the study:
- HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 7 1.55
8 31.91
9 17.86
10 2.89
12 2.29
13 0.67
Di-Aromatic (DiAr) 10 1.03
13 0.28
14 0.24
15 0.28
n-Olefin 5 0.27
10 21.06
11 0.41
i-Olefin 9 0.30
Total 81.03
The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity. - Test organisms (species):
- Lumbriculus variegatus
- Duration:
- 28 d
- Duration:
- 28 d
- Dose descriptor:
- other: LL50
- Effect conc.:
- 186 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality
- Remarks on result:
- other: QSAR prediction value
- Duration:
- 28 d
- Dose descriptor:
- other: EL10
- Effect conc.:
- 35.6 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: biomass/ reproduction
- Remarks on result:
- other: QSAR prediction value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 186 and 35.6 mg/kg sediment dw respectively.
- Executive summary:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB substance for L. variegatus were 186 and 35.6 mg/kg sediment dw, respectively. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.
- Endpoint:
- sediment toxicity: long-term
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached justification.
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- not specified
- Specific details on test material used for the study:
- HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 6 0.57
7 0.19
9 0.50
12 0.98
13 0.31
Di-Aromatic (DiAr) 10 0.27
n-Olefin 5 0.63
10 62.38
11 23.68
Total 89.52
The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity. - Test organisms (species):
- Lumbriculus variegatus
- Duration:
- 28 d
- Duration:
- 28 d
- Dose descriptor:
- other: LL50
- Effect conc.:
- 526 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality
- Remarks on result:
- other: QSAR prediction value
- Duration:
- 28 d
- Dose descriptor:
- other: EL10
- Effect conc.:
- 101 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: biomass/ reproduction
- Remarks on result:
- other: QSAR prediction value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 526 and 101 mg/kg sediment dw respectively.
- Executive summary:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB substance for L. variegatus were 526 and 101 mg/kg sediment dw, respectively. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.
- Endpoint:
- sediment toxicity: long-term
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached justification.
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- not specified
- Specific details on test material used for the study:
- HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 7 0.75
8 35.64
9 17.80
10 2.99
12 0.35
13 0.23
Di-Aromatic (DiAr) 10 0.22
n-Cyclohexane (n-CC6) 7 0.11
iso-Naphthenic (i-N) 8 0.10
n-Olefin 5 0.58
6 0.17
9 0.61
10 23.76
i-Olefin 6 0.21
n-Paraffin (n-P) 7 0.12
8 0.18
9 0.30
Total 84.13
The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity. - Test organisms (species):
- Lumbriculus variegatus
- Duration:
- 28 d
- Duration:
- 28 d
- Dose descriptor:
- other: LL50
- Effect conc.:
- 187 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality
- Remarks on result:
- other: QSAR prediction value
- Duration:
- 28 d
- Dose descriptor:
- other: EL10
- Effect conc.:
- 35.8 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: biomass
- Remarks:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 187 and 35.8 mg/kg sediment dw respectively.
- Executive summary:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB substance for L. variegatus were 187 and 35.8 mg/kg sediment dw, respectively.The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.
- Endpoint:
- sediment toxicity: long-term
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached justification.
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- not specified
- Specific details on test material used for the study:
- HC Block Type Carbon Number Concentration (%w/w)
n-olefin 5 0.57
9 1.24
10 76.50
11 14.84
12 1.21
Total 94.37
The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity. - Test organisms (species):
- Lumbriculus variegatus
- Duration:
- 28 d
- Duration:
- 28 d
- Dose descriptor:
- other: LL50
- Effect conc.:
- 516 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality
- Remarks on result:
- other: QSAR prediction value
- Duration:
- 28 d
- Dose descriptor:
- other: EL10
- Effect conc.:
- 98.9 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: biomass/ reproduction
- Remarks on result:
- other: QSAR prediction value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 516 and 98.9 mg/kg sediment dw respectively.
- Executive summary:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB substance for L. variegatus were 516 and 98.9 mg/kg sediment dw for short-term (LL50) and long-term effects (EL10), respectively. The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.
- Endpoint:
- sediment toxicity: long-term
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached justification.
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Software tool(s) used including version:
See Field 'Attached justification'
- Model(s) used:
See Field 'Attached justification'
- Model description: See Field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- not specified
- Specific details on test material used for the study:
- HC Block Type Carbon Number Concentration (%w/w)
Mono-Aromatic (MoAr) 8 1.51
9 42.57
10 7.04
Naphthenic Mono-Aromatic (NMAr) 9 0.98
10 0.36
Di-Aromatic (DiAr) 10 8.24
11 0.85
n-Olefin 5 0.22
9 0.13
10 26.65
11 4.67
Total 93.21
The constituents that could fit in more than one HC block, or that did not fit in any specific block, were placed in a relevant block that presented the highest toxicity. - Test organisms (species):
- Lumbriculus variegatus
- Duration:
- 28 d
- Duration:
- 28 d
- Dose descriptor:
- other: LL50
- Effect conc.:
- 202 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality
- Remarks on result:
- other: QSAR prediction value
- Duration:
- 28 d
- Dose descriptor:
- other: EL10
- Effect conc.:
- 38.6 mg/kg sediment dw
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- other: biomass/ reproduction
- Remarks on result:
- other: QSAR prediction value
- Validity criteria fulfilled:
- yes
- Conclusions:
- The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) for L. variegatus were 202 and 38.6 mg/kg sediment dw respectively.
- Executive summary:
The QSAR predicted 28-d LL50 (mortality) and 28-d EL10 (biomass/ reproduction) of the UVCB substance for L. variegatus were 202 and 38.6 mg/kg sediment dw for short-term (LL50) and long-term effects (EL10), respectively.The model used for the calculations was the PETROTOX v4.0 model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. This substance fits within the criteria of the model and there are no reservations about the validity of the model runs. It is expected that this data is reliable with restrictions.
Referenceopen allclose all
Description of key information
The sediment toxicity was predicted by a QSAR, the PETROTOX v4.0 computer model. PETROTOX is a well-documented and peer reviewed model that is widely used across the chemicals industry. The substances of this category fit within the criteria of the model and there are no reservations about the validity of the model runs. The predicted LL50 values for Lumbriculus variegatus ranged from 162 to 526 mg/kg sediment dw. The predicted EL10 values for Lumbriculus variegatus ranged from 31.1 to 98.9 mg/kg sediment dw.
Key value for chemical safety assessment
Additional information
Species | Substance CAS No. | LL50/EL50 (mg/kg dw) | EL10 (mg/kg dw) |
Lumbriculus variegatus | 68516-20-1 | 187 | 35.8 |
Lumbriculus variegatus | 101316-62-5 | 163 | 31.2 |
Lumbriculus variegatus | 68526-56-7 | 516 | 98.9 |
Lumbriculus variegatus | 68477-54-3 | 186 | 35.6 |
Lumbriculus variegatus | 94733-07-0 | 202 | 38.6 |
Lumbriculus variegatus | 68478-10-4 | 526 | 101 |
Lumbriculus variegatus | 65996-79-4 | 162 | 31.1 |
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.
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.