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Diss Factsheets
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EC number: 201-289-8 | CAS number: 80-54-6
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Well documented study conducted in compliance with GLP standards
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 995
- Report date:
- 1995
Materials and methods
- Objective of study:
- toxicokinetics
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 417 (Toxicokinetics)
- GLP compliance:
- yes
Test material
- Reference substance name:
- 2-(4-tert-butylbenzyl)propionaldehyde
- EC Number:
- 201-289-8
- EC Name:
- 2-(4-tert-butylbenzyl)propionaldehyde
- Cas Number:
- 80-54-6
- Molecular formula:
- C14H20O
- IUPAC Name:
- 3-(4-tert-butylphenyl)-2-methylpropanal
- Details on test material:
- - Source (14C): Hoffman-La Roche, New Jersey, USA
- Batch No.(14C): 19154-100-15
- Source (non-radioactive): Givaudan Corporation, Clifton, N.J., USA.
- Batch No. (non-radioactive): 1001092
- Radiochemical purity: > 98 %
- Analytical purity of non-radioactive test substance: not determined
Constituent 1
Constituent 2
- Radiolabelling:
- yes
- Remarks:
- 14C
Test animals
- Species:
- rat
- Strain:
- other: Wistar derived RORO ( Ibm:RORO (SPF)) albino rats
- Sex:
- male
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Institut fuer biologisch-medizinische Forschung, Fuellindsorf, Switzerland
- Age at study initiation: 5-7 weeks
- Weight at study initiation: 207 ± 6 g
- Individual metabolism cages: yes
- Diet: ad libitum (LAD1, Special Diet Services, Manea, UK, Batches 6562 and 6882)
- Water: ad libitum (tap water)
- Acclimation period: 7-13 days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 21 ± 2
- Humidity (%): 50 ± 10
- Photoperiod (hrs dark / hrs light): 12/12
Administration / exposure
- Route of administration:
- oral: gavage
- Vehicle:
- other: rapeseed oil
- Details on exposure:
- PREPARATION OF DOSING SOLUTIONS:
The dosing solutions were prepared the day prior to dose administration. To prepare the doses 25 and 100 mg/kg, repurified 14C BMHCA (22.2 and 25.3 mg, respectively) was mixed with non radioactive BMHCA (17.1 and 135.6 mg, respectively) and rapeseed oil (14.1 and 14.3 g, repectively) to give solutions containing 2.8 and 11.2 mg BMHCA/g formulation
- Administration volume: 2 ml - Duration and frequency of treatment / exposure:
- single administration
Doses / concentrations
- Remarks:
- Doses / Concentrations:
25 and 100 mg/kg bw
- No. of animals per sex per dose / concentration:
- 4
- Control animals:
- no
- Details on study design:
- TREATMENT OF ANIMALS:
- Fasting: Yes, overnight before application and for 2 hours after dose administration - Details on dosing and sampling:
- PHARMACOKINETIC STUDY
- Tissues and body fluids sampled: blood (ca. 0.5 ml in to heparized tubes), plasma (generated after centrifugation of blood 14,000g)
- Time and frequency of sampling: prior to oral adminstration and at 0.5, 1, 2, 4, 6, 8, 24 and 48 h afterwards.
- Storage of samples: at -20°C until analysis was performed
Results and discussion
Toxicokinetic / pharmacokinetic studies
Toxicokinetic parameters
- Toxicokinetic parameters:
- other: see Table below
Metabolite characterisation studies
- Metabolites identified:
- not measured
Any other information on results incl. tables
Table 1: Pharmacokinetic variables of radioactivity in plasma after single dose administration of 14C BMHCA to rats
Dose administered |
C max (µg equivalents/ml) |
T max (h) |
AUC 0-48 (µg.h/ml) |
T1/2 (h) |
25 mg/kg bw |
14.3 ± 6.4 |
3.5 ± 1.9 |
122 |
8* |
100 mg/kg bw |
52.0 ± 15.3 |
1.8 ± 0.5 |
937 |
9.8** |
Tmax und Cmax represent the mean of Tmax and Cmax observed for single animals. AUC was estimated up to the last time at which concentrations were above the quantification limit by the linear trapezoidal rule.
* Calculated from the log linear plots of 2 animals only because a linear terminal elimination phase could not be identified for the other two animals
** Calculated from the log linear plots of 1 animal only because a linear terminal elimination phase could not be identified for the other 3 animals
Table 2: Mean Plasma concentrations of radioactivity in rats following single doses of 14C BMHCA 25 and 100 mg/kg bw in rapeseed oil
Sample collection time (h) |
25 mg/kg bw |
100 mg/ kg bw |
µg equivalents/ml |
||
0.5 |
6.1 ± 2.2 |
33.9 ± 12.4 |
1 |
8.7 ± 4.3 |
46.9 ± 16.7 |
2 |
13.7 ± 7.3 |
49.5 ± 12.1 |
4 |
9.0 ± 5.1 |
41.6 ± 22.5 |
6 |
6.2 ± 4.1 |
43.5 ± 15.9 |
8 |
4.3 ± 3.4 |
27.4 ± 13.9 |
24 |
1.5 ± 0.5 |
22.6 ± 7.2 |
48 |
0.3 ± 0.03 |
2.8 ± 0.9 |
Applicant's summary and conclusion
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.
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