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EC number: 267-500-0 | CAS number: 67874-72-0
- 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)
Description of key information
The hydrolytical half-life of Coniferan is based on read-across from the close structural analogues Verdox (CAS# 20298-69-5): The DT50 is ca 2 days.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 2 d
- at the temperature of:
- 25 °C
Additional information
Coniferan's hydrolysis is assessed by using the information from the analogue Verdox. For this substance data are available from an OECD TG 111 study in compliance with the principles of GLP. From this study, the rate of degradation of the test substance at 20 °C and 25 °C was similar at pH 4, 7, and 9 and ranged within 42 - 49 hours (ca. 2 days).
Hydrolysis of Coniferan (CAS #67874-72-0) using read across from data available from Verdox (CAS #20298-69-5).
Introduction and hypothesis for the analogue approach
Coniferan is an acetate-ester attached to a cyclohexyl ring with a tert-pentyl-group attached atthe ortho-position.For assessment of the hydrolysis potential of Coniferan read-across is performed to the close structural analogue Verdox.
Hypothesis: Coniferan hydrolysis similarly as Verdox because of the similarity in structure and only one methyl group difference.
Available information: No hydrolysis data are available for the target chemical Coniferan. For the source chemical Verdox data are available from an OECD TG 111 study in compliance with the principles of GLP (K2, because the results may be impacted by the volatility of the substance).
Target chemical and source chemical s
Chemical structures and physico-chemical properties of the target chemical and the source chemical are shown in the data matrix.
Purity / Impurities
Coniferan consists of acis- and trans- variant of the molecule. As its purity is close to 100%, there are no impurities that are expected to significantly affect hydrolysis.Verdox is a comparable substance i.e. a high purity substance consisting of two stereo isomers.
Analogue approach justification
According to Annex XI 1.5 read across can be used to replace testing when the similarity can be based on a common backbone and a common functional group.
In accordance with RAAF (ECHA, 2017) the selection of analogues is justified. Verdox is considered the closest analogue due to only one methyl group difference in the tert-butyl group at the ortho-position for which hydrolysis information is available.
Structural similarities and differences in relation to the available experimental data:
Coniferan and Verdox show very close structural resemblance. There is only one methyl group difference.
Hydrolysis: For hydrolysis the impact of the structural differences are very limited. Verdox hydrolysed in ca 2 day. The hydrolysis information of Verdox may be due to disappearance of the substance from the test system due to the volatile nature of the substance because similar esters are fairly stable at environmental conditions.
Bioavailability:Coniferan and Verdox are sufficiently water soluble to be hydrolysed.
Hydrolysis: Coniferan and Verdox will be hydrolysed as presented below
Fig. 1 The hydrolysis of esters Coniferan and Verdox. For Coniferan the D-group is a tert-pentyl group, for Verdox this is a tert-butyl group
Uncertainty of the prediction:There is limited uncertainty considering structural and physico-chemical resemblance between the target and source substances. The hydrocarbon backbones are sufficiently alike and the key parameter is the presence of the short-alkyl chain ester group. Using the ECHA guidance (2017, RAAF) criteria for the quality of the read across the score would be 5, based on the reasoning above.
Data matrix
The relevant information on physico-chemical properties and other environmental fate properties are presented in the Data Matrix below.
Conclusions for environmental fate and risk characterisation.
Thehydrolysisinformation from Verdox indicates a degradation of < 2 days, though similar esters are generally fairly stable at environmental pH.
Result for the risk characterisation: Coniferan is expected to hydrolyse within two days.
Data matrix for read across for Coniferan from Verdox
Common names |
Coniferan |
Verdox |
Chemical name |
2-tert-pentylcyclohexyl acetate |
cis-2-tert-butylcyclohexyl acetate |
Chemical structures |
||
CAS No. |
67874-72-0 |
20298-69-5 |
EC No. |
Registration 2018 |
243-718-1 (registered) |
Empirical formula |
C13H24O2 |
C12H22O2 |
Molecular weight |
212.3 |
198.3 |
Physical state |
liquid |
Liquidat 30°C |
Phys-chem properties |
|
|
Melting point,oC |
-20 |
29.8 |
Boiling point,oC |
252 |
232 |
Vapour pressure, Pa |
4.24 (at 24 °C) |
9.72 (at 23 °C) |
Water solubility, mg/L |
7.6 (at 24 °C) |
10 (at 23 °C) |
Log Kow |
5.4 |
4.75 |
Environmental Fate |
|
|
Hydrolysis |
Read across from Verdox |
DT50 = 42-49 hours |
Henry coefficient in Pa.mol/m3 at 25oC |
118 |
119 |
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.
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