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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 287-673-6 | CAS number: 85566-63-8
- 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 14 September 2017 to 16 May 2018
- Reliability:
- 1 (reliable without restriction)
- 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:
- 1. SOFTWARE
Episuite V4.00 - V4.11
2. MODEL (incl. version number)
HYDROWIN v2.00
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : CCCCCCC(C)OC(=O)C=CC(=O)OC(C)CCCCCC
CHEM : Bernel Ester DCM, Dicapryl maleate (branched)
MOL FOR: C20 H36 O4
MOL WT : 340.51
Information on the validation and applicablity is contained below. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Validated QSAR model. The substance falls within the specified validation and applicability domains.
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- no
- Estimation method (if used):
- Hydrolysis as a Function of pH
Due to the low solubility and the practicality of developing a method that would have sufficient sensitivity, a practical determination of hydrolysis was technically not feasible.
Due to the low water solubility it was decided, in consultation with the Sponsor, that calculated values for the partition coefficient would be reported.
Calculation of Hydrolysis
The hydrolysis is predicted using the Estimation Program Interface (EPI ver. 4.11) developed by the United States Environmental Protection Agency (US EPA) (US EPA 2012). EPI Suite is used in the US EPA Pollution Prevention framework for the review of pre-manufacturing notice chemicals under the Toxic Substance Control Act (TSCA) and for the evaluation of the potential for chemicals to have persistent, bioaccumulative and toxic properties.
The programs within EPI Suite are able to predict physical chemical properties from chemical structure (in SMILES notation), chemical name or CAS number entries. The model within the suite, used to estimate the hydrolysis is:
• HYDROWIN: Estimates the hydrolysis of chemicals.
This program compares fragments of the test substance to a library of fragments to give hydrolysis half-lives at a pH of 7 and 8. - Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- The calculated hydrolysis could not be made directly because there were no fragments in the comparison library, so substitutes were used. The full results are shown in Appendix 5.1
- Transformation products:
- not measured
- Remarks:
- Validated QSAR. No transformation products predicted.
- Details on hydrolysis and appearance of transformation product(s):
- The calculated hydrolysis could not be made directly because there were no fragments in the comparison library, so substitutes were used. The full results are shown in Appendix 5.1
- pH:
- 7
- DT50:
- ca. 137.9 d
- pH:
- 8
- DT50:
- ca. 13.786 d
- Details on results:
- Hydrolysis as a Function of pH
The calculated hydrolysis could not be made directly because there were no fragments in the comparison library, so substitutes were used. The half-life at pH 7 was 137.864 days and at pH 8 it was 13.786 days. The full results are shown in Appendix 5. - Validity criteria fulfilled:
- not applicable
- Remarks:
- Validated QSAR
- Conclusions:
- The calculated hydrolysis could not be made directly because there were no fragments in the comparison library, so substitutes were used. The half-life at pH 7 was 137.864 days and at pH 8 it was 13.786 days.
- Executive summary:
The calculated hydrolysis could not be made directly because there were no fragments in the comparison library, so substitutes were used. The half-life at pH 7 was 137.864 days and at pH 8 it was 13.786 days.
Reference
Description of key information
Validated QSAR model. The registered substance falls within the validation and applicability domains.
Key value for chemical safety assessment
Additional information
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.