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EC number: 619-508-4 | CAS number: 381209-09-2
- 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
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics
- Type of information:
- other: toxicokinetic assessment
- Adequacy of study:
- key study
- Study period:
- 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Toxicokinetic assessment by a certified toxicologist (not determined by an OECD TG).
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
- Objective of study:
- toxicokinetics
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Guidance for the implementation of REACH. Guidance on information requirements and chemical safety assessment. Chapter R.7c: Endpoint specific guidance. European Chemical Agency, May 2008
- Deviations:
- not applicable
- GLP compliance:
- no
Test material
- Reference substance name:
- 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
- EC Number:
- 619-508-4
- Cas Number:
- 381209-09-2
- Molecular formula:
- C13 H24 O2
- IUPAC Name:
- 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
- Details on test material:
- - Name of test material (as cited in study report): CAT-Acid
Constituent 1
Results and discussion
Main ADME results
- Type:
- absorption
Any other information on results incl. tables
TOXICOKINETIC ASSESSMENT
The relatively low molecular weight of CAT-Acid is favourable for absorption. However, the water solubility of CAT-Acid is low (1.11 x 10-2 g/L at 20°C). Since in general a compound needs to be dissolved before it can be taken up from the gastro-intestinal tract, it is unlikely that CAT-Acid will show a high systemic exposure after oral administration (1).
CAT-Acid has potential ionisable groups in its structure. Under certain conditions, ionized molecules tend to be less well absorbed in the gastro-intestinal tract than non-ionized molecules, as ionization limits passive transport through lipid membranes. Its moderate lipophilic character (log Pow of 4.2 at neutral pH and log Pow of 4.5 at pH 2) indicates that uptake by micellular solubilisation may be of importance. For risk assessment purposes oral absorption of CAT-Acid is set at 50%. The result of the toxicity studies do not provide reasons to deviate from this proposed oral absorption factor.
Once absorbed, distribution of CAT-Acid throughout the body will be limited due to its low water solubility. Based on its moderate lipophilic character, intracellular concentration is expected to be higher than extracellular concentration. Absorbed CAT-Acid might undergo biotransformation. The biotransformation products will either be excreted via the bile (high molecular weight compounds) or the urine (low molecular weight compounds) (3).
Due to the high boiling temperature (306°C) and the very low vapour pressure (= 4.08 x 10-2 Pa) it is not to be expected that CAT-Acid will be available significantly for inhalation. Under experimental conditions, the aerosol particle size of CAT-Acid artificially generated by means of a nebulizer showed the presence of inhalable particles. In general, particles with an aerodynamic diameter < 100 µm have the potential to be inhaled. It is anticipated that particles with an aerodynamic diameter below 50 µm may reach the thoracic region and those below 15 µm (100% for CAT-ACID) the alveolar region of the respiratory tract. However, should CAT-Acid reach the tracheobronchial region, uptake by means of micellular solubilisation may be of importance, due to the lipophilic properties of this substance, as indicated by the log Pow >4 and poor water solubility (11 mg/L). However, overall it is unlikely that CAT-Acid will be available to a high extent after inhalation via the lungs due to the low vapour pressure. Results from the acute inhalation toxicity study showed no toxicity nor mortality at the high dose level of 5 mg/L after 4 hour exposure.
CAT-Acid, being a liquid, has the potential to partition from the stratum corneum into the epidermis. Since the water solubility of CAT-Acid is low (11 mg/L), and the partition coefficient is moderately high (log Pow of 4.2 at neutral pH and log Pow of 4.5 at pH 2) the substance may be too hydrophobic to cross the stratum corneum significantly, and therefore dermal uptake will be impaired. However, the data are insufficient to meet the criteria for 10% dermal absorption as given in the Endpoint Specific Guidance for the implementation in REACH (MW>500 and log Pow <-1 or >4) (2), a dermal absorption of CAT-Acid of 100% is proposed for risk assessment purposes. However, as it is generally accepted that dermal absorption does not exceed oral absorption, 50% dermal absorption is considered to be a more realistic dermal absorption factor. The results of the toxicity studies do not provide reasons to deviate from this proposed dermal absorption factor.
Based on the present available data, no additional conclusions can be drawn on the distribution, metabolism and excretion of CAT-Acid after dermal absorption.
References:
(1) Martinez MN, Amidon GL. Mechanistic approach to understanding the factors affecting
drug absorption: a review of fundamentals. J Clin Pharmacol 2002; 42: 620-43.
(2) Guidance for the implementation of REACH. Guidance on information requirements and
chemical safety assessment. Chapter R.7c: Endpoint specific guidance. European
Chemical Agency, May 2008.
(3) A. Parkinson. In: Casarett and Doull’s Toxicology, The basic science of poisons. Sixth
edition. Ed. C.D. Klaassen. Chapter 6: Biotransformation of xenobiotics. McGraw-Hill,
New York, 2001.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): other: see section "Any other information on results incl. tables"
See section "Any other information on results incl. tables"
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