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Diss Factsheets
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EC number: 300-723-4 | CAS number: 127823-21-6
- 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:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018
- 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:
- A QSAR calculation of hydrolysis of the test item with HYDROWIN 2.00 (US-EPA, 2010) was applied as a screening tool.
Given the results obtained (half-lives > 1 year at pH 7 and 8 and at 25°C), it was considered that it would not be useful to investigate this degradation process more precisely by running an experiment based on the OECD TG 111, as abiotic degradation is not considered a significant degradation pathway for the test item. - Principles of method if other than guideline:
- The Aqueous Hydrolysis Rate Program (HYDROWIN v2.00) estimates aqueous hydrolysis rate constants for the following chemical classes: esters, carbamates, epoxides, halomethanes, selected alkyl halides and phosphorus esters. HYDROWIN estimates acid- and base-catalyzed rate constants.
- GLP compliance:
- not specified
- Radiolabelling:
- no
- Analytical monitoring:
- no
- Positive controls:
- no
- Negative controls:
- no
- Transformation products:
- not measured
- Key result
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 1.605 yr
- Type:
- not specified
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 16.047 yr
- Type:
- not specified
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The QSAR hydrolysis calculation for the test item with the program HYDROWIN resulted in half-lives > 1 year at pH 7 and 8 and at 25°C (respective estimated half-lives: 1.605 year, 16.047 years). Therefore, it is not expected that hydrolysis is a significant degradation pathway for this test substance and no further investigation is deemed necessary.
- Executive summary:
As a screening tool, a QSAR hydrolysis calculation for the test item with HYDROWIN 2.00 (US-EPA, 2010) was applied. This resulted in half-lives > 1 year at pH 7 and 8 and at 25°C (respective estimated half-lives: 1.605 year, 16.047 years). Therefore, it is not expected that hydrolysis is a significant degradation pathway for this test substance and no further investigation is deemed necessary.
Reference
The results report is detailed below:
SMILES : O=C(OCC(C(C(CC1C2)C2)C1C3)C3)C=C
CHEM :
MOL FOR: C14 H20 O2
MOL WT : 220.31
--------------------------- HYDROWIN v2.00 Results ---------------------------
NOTE: Fragment(s) on this compound are NOT available from the fragment
library. Substitute(s) have been used!!! Substitute R1, R2, R3,
or R4 fragments are marked with double astericks "**".
ESTER: R1-C(=O)-O-R2 R1: -CH=CH2
093962-84-6 ** R2: -CH2-cyclohexyl
Kb hydrolysis at atom # 2: 1.369E-002 L/mol-sec
Total Kb for pH > 8 at 25 deg C : 1.369E-002 L/mol-sec
Kb Half-Life at pH 8: 1.605 years
Kb Half-Life at pH 7: 16.047 years
Kb hydrolysis at atom # 2: 1.369E-002 L/mol-sec
Total Kb for pH > 8 at 25 deg C : 1.369E-002 L/mol-sec
Kb Half-Life at pH 8: 1.605 years
Kb Half-Life at pH 7: 16.047 years
Description of key information
As a screening tool, a QSAR hydrolysis calculation for the test item with HYDROWIN 2.00 (US-EPA, 2010) was applied.
This resulted in half-lives > 1 year at pH 7 and 8 and at 25°C (respective estimated half-lives: 1.605 year, 16.047 years). Therefore, it is not expected that hydrolysis is a significant degradation pathway for this test substance and no further investigation is deemed necessary.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 16.047 yr
- at the temperature of:
- 25 °C
Additional information
As a conservative approach, the worst-case half-life of 16.047 years at pH 7 and 25 °C was selected for chemical safety assessment.
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.