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EC number: 202-676-4 | CAS number: 98-52-2
- 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
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
Description of key information
LC50 = 6.82 mg/L
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 6.82 mg/L
Additional information
The acute toxicity of 4-tert-butylcyclohexanol to fish was investigated in a study conducted by (96-0394-DKO). This non-GLP test was carried out as static dose-response test according to DIN 38412, part 15. Golden orfes (Leuciscus idus melanotus) were exposed for 48 h to the nominal test concentrations 13, 16 and 20 mg/L. No analytical verification of the test substance concentrations in the test media was performed. The test duration of 48 h is not in line with today's standards where a test duration of 96 h is recommended. Consequently, the resulting LC50 (48 h) value of 17 mg/L (nominal) is not sufficient for the fully evaluation of the acute toxicity of the test substance to fish.
Thus, short-time toxicity to fish is further investigated by QSAR-calculations. Therefore, a trend analysis on the basis of QSAR Toolbox 2.2.1.1120, Database version 2.1.8/1.0.0 for 4-tert-butylcyclohexanol is performed (2012). Taking into account a test duration of 96 h, the calculation resulted in an LC50-value of 7.42 mg/L for fathead minnows (Pimephales promelas). In a second QSAR-calculation on the basis of ECOSAR v1.00 the LC50 (96 h) for fish was determined to be 6.82 mg/L (2013-0036-DKB). The fish species is not further specified in this model.
To further support the available information on 4-tert-butylcyclohexanol, acute fish toxicity data obtained with the structural analogue L-menthol (CAS 2216-51-5) were considered. Both substances share a cyclohexanol ring, whereas 4-tert-butylcyclohexanol has one tert-butyl substituent and L-menthol has two substituents, a methyl and an isopropyl group. To demonstrate the similarity of the substances, the physical-chemical parameters are summarized in the following table.
Similarity of the physical-chemical properties of 4-tert-butylcyclohexanol and L-menthol |
||
|
4-tert-Butylcyclohexanol |
L-Menthol (2-isopropyl-5- methylcyclohexanol) 1) |
CAS-No |
98-52-2 |
2216-51-5 |
Molecular weight |
156.27 |
156.27 |
Physical state at ambient temperature |
solid |
solid |
Melting point (° C, 1013 hPa) |
56 (cis form) |
41 – 43 2) |
Boiling point (° C, 1028.3 hPa) |
218.6 |
218.94 |
Density |
0.87 g/mL |
0.89 g/cm3 |
Vapor pressure (at 25 °C) |
6 Pa |
6.37E-02 mm Hg |
Log Kow |
3.32 |
3.38 |
Water solubility (mg/L) |
264 |
434.5 |
1) EPIsuite 4.10 calculation with CAS 2216-51-5 2) http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?HSDB (search CAS 2216-51-5) |
For menthol an acute flow-through test (no guideline mentioned) is conducted on fathead minnows (Pimephales promelas) and is summarized in a publication of Russom et al. (1996). The test resulted in an LC50-value of 18.9 mg/L (nominal) after 96 h.
Taking into account all available data for 4-tert-butylcyclohexanol (pTBCol) and its structural analogue menthol, the LC50-value of the test substance is expected to be above 1 mg/L. For the calculation of PNEC-values, the worst-case endpoint determined by using the ECOSAR v1.00 (LC50 (96 h) = 6.82 mg/L) will be used.
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