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EC number: 271-264-4 | CAS number: 68527-23-1 A complex combination of hydrocarbons produced by distillation of products from a steam-cracking process. It consists predominantly of aromatic hydrocarbons having carbon numbers predominantly in the range of C7 through C9 and boiling in the range of approximately 110°C to 165°C (230°F to 329°F).
- 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

Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- September 21-27, 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline, GLP compliant, available as an unpublished report, acceptable with restrictions.
- Justification for type of information:
- N/a
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- N/a
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- N/a
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2.2 - 6.5
- Temp.:
- 23 °C
- pH:
- 6.2
- Details on results:
- 76 area -% from log Pow = 2.2 to log Pow = 3.0, 24 area- % from log Pow = 3.0 to log Pow = 5.7, 0.3 area=% log Pow >6.5. Main constituent (57 area-%): log Pow = 2.2
- Conclusions:
- The test item, CAS number 64742-83-2, consists of a mixture of compounds with log Pow values in a range from log Pow = 2.2 to >6.5.
- Executive summary:
The test item, CAS number 64742-83-2, consists of a mixture of compounds with log Pow values in a range from log Pow = 2.2 to >6.5. This study is GLP compliant and follows a standard guideline. It si reliable and suitable for use as a key study.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 23.10-31.10.2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline, available as an unpublished report, limitations in reporting but otherwise adequate for assessment
- Justification for type of information:
- N/a
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- N/a
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- N/a
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2.2 - 6.5
- Temp.:
- 23 °C
- pH:
- 6.2
- Details on results:
- 59 area% from log Pow = 2.2 to log Pow = 3.0, 39 area % from log Pow >3.0 to log Pow = 6.1, 1.9 area % log Pow >6.5. Main constituent 1 (33 area %): log Pow = 2.2. Main constituent 2 (26 area %): log Pow = 2.8
- Conclusions:
- CAS number 68475-70-7 consists of a mixture of compounds woth log Pow values in the range from log Pow = 2.2 to > 6.5
- Executive summary:
CAS number 68475-70-7 consists of a mixture of compounds woth log Pow values in the range from log Pow = 2.2 to > 6.5. This study is GLP compliant and follows a standard guideline. It is reliable and suitable for use as a key study.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July 20 - September 6, 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline, GLP compliant, available as an unpublished report, acceptable with restrictions.
- Justification for type of information:
- N/a
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- N/a
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- N/a
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2.8 - 6.5
- Temp.:
- 23 °C
- pH:
- 6.2
- Details on results:
- 0.1 area % from log Pow = 2.8 to log Pow = 3.0; 89 area % from log Pow 3.0 to log Pow = 6.5; 11 area % log Pow > 6.5
- Conclusions:
- CAS number 68477-39-4 consists of a mixture of compounds with log Pow values in the range from 2.8 to >6.5.
- Executive summary:
CAS number 68477-39-4 consists of a mixture of compounds with log Pow values in the range from 2.8 to >6.5. This study is GLP compliant and follows a standard guideline. It is considered reliable and suitable for use as a key study.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Not reported date of report 15 September 2004
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP compliant report available as unpublished report, acceptable with restrictions
- Justification for type of information:
- N/a
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- N/a
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- N/a
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- > 3.3 - < 5.4
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not reported.
- Details on results:
- The principal constituents of MRD-03-769 were found to have Log Pow values between 3.3 and 5.4
- Conclusions:
- The principal constituents of MRD-03-769 were found to have Log Pow values between 3.3 and 5.4
- Executive summary:
This is a GLP compliant, guideline study considered adequate for assessment. The principal constituents of MRD-03-769 were found to have Log Pow values between 3.3 and 5.4
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- October 22-25, 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline, GLP compliant, available as an unpublished report, acceptable with restrictions.
- Justification for type of information:
- N/a
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- N/a
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- N/a
- Type:
- log Pow
- Partition coefficient:
- 2.7 - 6.5
- Temp.:
- 23 °C
- pH:
- 6.2
- Details on results:
- log Pow < 3.0 is 48.4 area %; log Pow < 6.5 is 88.6 area %; and log Pow >6.5 is 11.4 area %.
Temperature assumed - Conclusions:
- The constituents of CAS number 90989-43-8 exhibit log Pow values from 2.7 to above 6.5.
- Executive summary:
The constituents of CAS number 90989-43-8 exhibit log Pow values from 2.7 to above 6.5. This study is GLP compliant and follows a standard guideline. This study is considered reliable and suitable for use.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July 20 - September 05, 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP, Guideline, available as an unpublished report, limitations in reporting but otherwise adequate for assessment
- Justification for type of information:
- N/a
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- N/a
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- N/a
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2.2 - 5.3
- Temp.:
- 23 °C
- pH:
- 6.2
- Details on results:
- log Pow = 2.2 to 3.0: 80.2 area %, log Pow 3.0 to 5.3: 19.8 area %
- Conclusions:
- CAS number 68527-23-1 consists of a mixture of compounds with log Pow values in the range from log Pow = 2.2 to 5.3
- Executive summary:
CAS number 68527-23-1 consists of a mixture of compounds with log Pow values in the range from log Pow = 2.2 to 5.3. This study is GLP compliant and follows a standard guideline. This study is considered reliable and suitable for use.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- -
- 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:
- Episuite and the KOWWIN models are well documented and commonly used QSAR for predicting the partition coefficient of chemicals. Constituents within LOA streams fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- KOWWIN (the Log Octanol-Water Partition Coefficient Program) estimates the logarithmic octanol-water partition coefficient (log P) of organic compounds and gives relevant experimental data, if available. KOWWIN requires only a chemical structure to estimate a log P using an atom/fragment contribution method. The model is based on methodologies laid out in Meylan et al. (1995).
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- N/a
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 1.53 - <= 7.22
- Remarks on result:
- other: Result from QSAR prediciton and relevant experimental values. Range based on the measured constituents in the streams.
- Details on results:
- Details of the constituents and their relevant log Kow are found in the document attached as background material and in the PBT report, respectively (see cross-reference).
- Conclusions:
- Constituents of this category reported predicted log Kow values ranging from 1.53 to 7.22. Details of the constituents and their relevant log Kow are found in the document attached as background material and in the PBT report, respectively (see cross-reference).
- Executive summary:
The log Kow values of the measured constituents (at equal or above 0.1% w/w) of this category have been predicted from the EPISUITE v4.11 KOWWIN (2017) program, which predicts the log Kow values using the methodology described by Meylan et al. (1995) and reports measured values when available. Constituents of this category reported predicted log Kow values ranging from 1.53 to 7.22.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- September 21-28, 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline, GLP compliant, available as an unpublished report, acceptable with restrictions.
- Justification for type of information:
- N/a
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- N/a
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- N/a
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2.2 - 5.5
- Temp.:
- 23 °C
- pH:
- 6.2
- Details on results:
- 68 area -% from log Pow = 2.2 to log Pow = 3.0, 32 area- % from log Pow > 3.0 to log Pow = 5.5 Main constituent (39 area-%): log Pow = 2.2
- Conclusions:
- The test item, CAS number 64742-83-2, consists of a mixture of compounds with log Pow values in a range from log Pow = 2.2 to 5.5
- Executive summary:
The test item, CAS number 64742-83-2, consists of a mixture of compounds with log Pow values in a range from log Pow = 2.2 to 5.5. This study is GLP compliant and follows a standard guideline. It si reliable and suitable for use as a supporting study.
Referenceopen allclose all
N/a
N/a
N/a
The principal constituents of MRD-03-769 were found to have Log Pow values between 3.3 and 5.4 at 25 Degs C. pH not reported
N/a
N/a
N/a
N/a
Description of key information
Partition Coefficient (log Kow) data are available for streams within this Category. Values ranged between 2.2 and 6.5. The QSAR-predicted range of log Kow for the measured constituents (at equal or above 0.1% w/w) of this category is 1.53 - 7.22.
Key value for chemical safety assessment
Additional information
A summary of the available category stream partition coefficient data (reported in the study records) is provided below.
64742-83-2: 2.2 to >6.5 (K) (GKA Competence Center BASF 2008).
64742-83-2: 2.2 to 5.5 (S) (GKA Competence Center BASF 2008).
68475-70-7: 2.2 to > 6.5 (GKA Competence Center BASF 2008).
68477-39-4: 2.8 to >6.5 (GKA Competence Center BASF 2008).
68527-23-1: 2.2-5.3 (GKA Competence Center BASF 2008).
68921-67-5: 3.3-5.4 (Huntingdon Life Sciences 2004).
90989-43-8: 2.7 ->6.5 (GKA Competence Center BASF 2008).
This category is well characterised and the constituents present in the streams are well known. The log Kow values of the measured constituents (at equal or above 0.1% w/w) of this category have been obtained from the EPISUITE v4.11 KOWWIN (2017) program, which predicts the log Kow values using the methodology described by Meylan et al. (1995) and reports measured values when available. Constituents of this category reported a mixture of measured and predicted log Kow values ranging from 1.53 to 7.22.
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.

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