Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 832-827-5 | 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- February 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Validated QSAR calculation method, using EPIWIN suite, KOWWIN version 1.68 model. A QPRF is attached. The substance is recognised as part of the rulebase utilised by the EPI Suite model data set, and is in model Applicability Domain. Further details can be found within the appended report below or at http://www.epa.gov/oppt/exposure/pubs/episuite.htm. This system is recognised in ECHA Guidance document CHAPTER R.6 – QSARS AND GROUPING OF CHEMICALS, Pg 47
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The substance is a hydrocarbon UVCB. Standard tests for water solubility are intended for single substances and are not appropriate for this complex substance. It is unlikely that a study result would give anything other than a “greater than” limit value of the highest value available in the test. This endpoint is therefore characterized using quantitative structure property relationships for representative hydrocarbon structures that could be present within this UVCB substance. 18 proposed molecules are assessed, in order to provide a suitable range of likely values associated with the substance. Details on the KOWWIN version 1.68 model programme are detailed below under "methods".
- GLP compliance:
- no
- Type of method:
- other: Calculated range of values using EPIWIN KOWWIN version 1.68 model
- Partition coefficient type:
- other: Calculated range of values using EPIWIN KOWWIN version 1.68 model
- Analytical method:
- other: QSAR estimate using US EPA On-Line EPI Suite™ KOWWIN version 1.68 model
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 15.76 - <= 31.33
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: Calculated range of values using EPIWIN KOWWIN version 1.68 model
- Details on results:
- Results estimated using the US EPA On-Line EPI Suite™ KOWWIN version 1.68 model the log Kow range is predicted to be 15.76 to 31.33. Tabulated data of all isomers assessed and associated results is provided below for information.
- Conclusions:
- Using the US EPA On-Line EPI Suite™ KOWWIN version 1.68 model, the log Kow range is predicted to be 15.76 to 31.33. This indicates that the substance in theory could have the potential to bioaccumulate. The substance is, however, considered to be not bioavailable to aqueous organisms as demonstrated by both the lack of acute toxicity and any associated adverse effects in the acute toxicity studies on aquatic organisms. Furthermore, the high log Pow is considered to be more a consequence of poor water solubility than a lipophilic tendency and is considered to be not indicative of the tendency to bioaccumulate in lipid tissues of aquatic organisms. This is based in part on an evaluation of literature data which demonstrates a tendency for the Bioconcentration Factor (BCF) to decrease as Log Pow increases above 6. This assumption is further confirmed by the data set available on “white oils” which demonstrates that they are poorly absorbed, and are not bioaccumulative in mammals.
REGULATION (EC) No 1272/2008 as amended by COMMISSION REGULATION (EU) No 286/2011 of 10 March 2011 states as follows when deciding the criteria for bioaccumulation potential:Cases when data do not allow classification under the above criteria but there are nevertheless some grounds for concern. This includes, for example, poorly soluble substances for which no acute toxicity is recorded at levels up to the water solubility (note 3), and which are not rapidly degradable and have anexperimentally determined BCF ≥ 500 (or, if absent, a log Kow ≥ 4), indicating a potential to bioaccumulate, will be classified in this category unless other scientific evidence exists showing classification to be unnecessary. Such evidence includes chronic toxicity NOECs > water solubility or > 1 mg/l, or evidence of rapid degradation in the environment.It is considered that sufficient evidence exists for avoidance of classification for bioaccumulative effects. White oils are not absorbed within the body, nor do they demonstrate any toxicity to mammalian or environmental organisms. As such, the “high” calculated Log Kow value associated with these types of substances is not proposed to be indicative of the propensity of the substance to become bioaccumulated. No classification is proposed on this basis. - Executive summary:
The substance is a hydrocarbon UVCB. Standard tests for partition coefficient are intended for single substances and are not appropriate for this complex substance. It is unlikely that a study result would give anything other than a “greater than” limit value of the highest value available in the test. This endpoint is therefore characterized using quantitative structure property relationships for representative hydrocarbon structures that could be present within this UVCB substance. 18 proposed molecules are assessed, in order to provide a suitable range of likely values associated with the substance.
Using the US EPA On-Line EPI Suite™ KOWWIN version 1.68 model, the log Kow range is predicted to be 15.76 to 31.33. This indicates that the substance in theory could have the potential to bioaccumulate. The substance is, however, considered to be not bioavailable to aqueous organisms as demonstrated by both the lack of acute toxicity and any associated adverse effects in the acute toxicity studies on aquatic organisms. Furthermore, the high log Pow is considered to be more a consequence of poor water solubility than a lipophilic tendency and is considered to be not indicative of the tendency to bioaccumulate in lipid tissues of aquatic organisms. This is based in part on an evaluation of literature data which demonstrates a tendency for the Bioconcentration Factor (BCF) to decrease as Log Pow increases above 6. This assumption is further confirmed by the data set available on “white oils” which demonstrates that they are poorly absorbed, and are not bioaccumulative in mammals.
REGULATION (EC) No 1272/2008 as amended by COMMISSION REGULATION (EU) No 286/2011 of 10 March 2011 states as follows when deciding the criteria for bioaccumulation potential:
Cases when data do not allow classification under the above criteria but there are nevertheless some grounds for concern. This includes, for example, poorly soluble substances for which no acute toxicity is recorded at levels up to the water solubility (note 3), and which are not rapidly degradable and have an experimentally determined BCF≥500 (or, if absent, a log Kow≥4), indicating a potential to bioaccumulate, will be classified in this category unless other scientific evidence exists showing classification to be unnecessary. Such evidence includes chronic toxicity NOECs > water solubility or > 1 mg/l, or evidence of rapid degradation in the environment.
It is considered that sufficient evidence exists for avoidance of classification for bioaccumulative effects. White oils are not absorbed within the body, nor do they demonstrate any toxicity to mammalian or environmental organisms. As such, the “high” calculated Log Kow value associated with these types of substances is not proposed to be indicative of the propensity of the substance to become bioaccumulated. No classification is proposed on this basis.
Reference
Assessment structures; 18 in total
Structure |
MW |
Formula |
Smile |
WSKOWWIN v1.42 (Log Kow) |
2 |
450.88 |
C32H66 |
CCCCC(CCC(CC)CCC)CC(C)CCCCCCCCCCCCC(C)CC |
15.76 |
4 |
450.88 |
C32H66 |
CCCCC(CCCCCCCCCCCCC(C)CC)CC(CCC)CCC(C)CC |
15.76 |
7 |
450.88 |
C32H66 |
CCCCCC(CCC)CCCCC(C)CC(C)CCCCCCCCCCCC(C)C |
15.76 |
3 |
450.88 |
C32H66 |
CCCCCCCCCCCCCCC(C)C(CCCC)CCCCCCC(C)CCC |
15.84 |
5 |
450.88 |
C32H66 |
CCCCCCCCCCCCCCC(C)C(CCCC)CCCCCC(C)CCCC |
15.84 |
8 |
450.88 |
C32H66 |
CCCCCCCCCCCCCC(C)CC(CCCC)CCCCC(C)CCCCC |
15.84 |
6 |
450.88 |
C32H66 |
CCCCCCCCCCCC(CCCC)CCCCCCCCCCCC(C)CCC |
15.91 |
12 |
675.312 |
C48H98 |
CCCCCCCCCCCC(CCC)C(CCCCCCCC(C)CC)CCCCC(CCCC)CC(CCC)CCCCCC |
23.06 |
13 |
675.312 |
C48H98 |
CCCCCCCCCC(CCCCCC(CCCC)CCCCCC(C)CCCC)C(CCC)CCCCCCCCCCC(C)C |
23.55 |
15 |
675.312 |
C48H98 |
CCCCCCCCCCCC(CCCC)C(CCCCCCCC(CC)CCCCCCC(CCC)CCCCC)CCC(C)CC |
23.55 |
16 |
675.312 |
C48H98 |
CCCCCCCCCCCCCCC(C)C(CCCC)CCCCCCCCC(C)CC(CCCC)CCCCC(C)CCCCC |
23.55 |
9 |
675.312 |
C48H98 |
CCCCCCCCCC(CCCC)CC(CCCCC)CCCCCCCCCCCC(CC)C(CCC)CCCCCCCCC |
23.62 |
10 |
675.312 |
C48H98 |
CCCCCCCCCCCC(CCCC)C(CCC)CCCCCCCCCCCCCC(CCCC)CCC(CC)CCCCC |
23.62 |
14 |
675.312 |
C48H98 |
CCCCCCCCCCCCCCC(C)C(CCCCCCCCCCC(C)CCC)C(CCCC)CCCCCCCCCCC |
23.62 |
11 |
675.312 |
C48H98 |
CCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCC(C)C(CCCC)CCCCCCCCCCC |
23.69 |
17 |
899.744 |
C64H130 |
CCCCCCCCCCCCCCC(C)C(CCCC)C(CCCCCCCC(C)CC(CCCC)CCCCC(C)CCCCC)C(CCCCCCC)CCCCC(C)C |
30.69 |
18 |
899.744 |
C64H130 |
CCCCCCCCCCCCC(CCC)C(CCCCCCCC)CCCCCC(C)C(CCCCCCCCCCC(C)CCC)C(CCCC)CCCCCCCCCCC |
31.33 |
Description of key information
Partition Coefficient estimated via QSAR and modified study which is was comparable to recognised guidelines
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 31.33
- at the temperature of:
- 25 °C
Additional information
The substance is a hydrocarbon UVCB. Standard tests for partition coefficient are intended for single substances and are not appropriate for this complex substance. It is unlikely that a study result would give anything other than a “greater than” limit value of the highest value available in the test. This endpoint is therefore characterized using quantitative structure property relationships for representative hydrocarbon structures that could be present within this UVCB substance. 18 proposed molecules are assessed, in order to provide a suitable range of likely values associated with the substance.
Using the US EPA On-Line EPI Suite™ KOWWIN version 1.68 model, the log Kow range is predicted to be 15.76 to 31.33. This indicates that the substance in theory could have the potential to bioaccumulate. The substance is, however, considered to be not bioavailable to aqueous organisms as demonstrated by both the lack of acute toxicity and any associated adverse effects in the acute toxicity studies on aquatic organisms. Furthermore, the high log Pow is considered to be more a consequence of poor water solubility than a lipophilic tendency and is considered to be not indicative of the tendency to bioaccumulate in lipid tissues of aquatic organisms. This is based in part on an evaluation of literature data which demonstrates a tendency for the Bioconcentration Factor (BCF) to decrease as Log Pow increases above 6. This assumption is further confirmed by the data set available on “white oils” which demonstrates that they are poorly absorbed, and are not bioaccumulative in mammals.
REGULATION (EC) No 1272/2008 as amended by COMMISSION REGULATION (EU) No 286/2011 of 10 March 2011 states as follows when deciding the criteria for bioaccumulation potential:
Cases when data do not allow classification under the above criteria but there are nevertheless some grounds for concern. This includes, for example, poorly soluble substances for which no acute toxicity is recorded at levels up to the water solubility (note 3), and which are not rapidly degradable and have an experimentally determined BCF≥500 (or, if absent, a log Kow≥4), indicating a potential to bioaccumulate, will be classified in this category unless other scientific evidence exists showing classification to be unnecessary. Such evidence includes chronic toxicity NOECs > water solubility or > 1 mg/l, or evidence of rapid degradation in the environment.
It is considered that sufficient evidence exists for avoidance of classification for bioaccumulative effects. White oils are not absorbed within the body, nor do they demonstrate any toxicity to mammalian or environmental organisms. As such, the “high” calculated Log Kow value associated with these types of substances is not proposed to be indicative of the propensity of the substance to become bioaccumulated. No classification is proposed on this basis.
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.