Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 238-969-9 | CAS number: 14901-07-6
- 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
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics in vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 4 (not assignable)
Data source
Reference
- Reference Type:
- publication
- Title:
- Fragrance material review on b-ionone
- Author:
- Ide, I., Toki, S.,
- Year:
- 2 007
- Bibliographic source:
- Food and Chemical Toxicology 45 (2007);Ide, I., Toki, S., 1970. Metabolism of b-ionone. Isolation, characterization and identification of the metabolites in the urine of rabbits. Biochemical Journal 119, 281–287.
Materials and methods
- Objective of study:
- metabolism
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other:
- Principles of method if other than guideline:
- Data is from J.Food and Chemical Toxicology
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
- EC Number:
- 238-969-9
- EC Name:
- 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
- Cas Number:
- 14901-07-6
- Molecular formula:
- C13H20O
- IUPAC Name:
- 4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
- Test material form:
- other: oily liquid
- Details on test material:
- -Name of test material (as cited in study report): 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one
- Substance type: Organic
- Physical state: liquid
Constituent 1
- Radiolabelling:
- not specified
Test animals
- Species:
- rabbit
- Strain:
- other: albino
- Sex:
- male
- Details on test animals or test system and environmental conditions:
- male albino rabbit weighing about 3.0 kg at a dose of 1 g/kg/day
Administration / exposure
- Route of administration:
- other: by stomach tube
- Vehicle:
- other: gum Arabic
- Details on exposure:
- 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one (b-Ionone) in aqueous suspension with gum Arabic was administered by stomach tube to a male albino rabbit weighing about 3.0 kg at a dose of 1 g/kg/day for seven days. The total administered dose was 23 g.
- Duration and frequency of treatment / exposure:
- seven days
Doses / concentrations
- Remarks:
- Doses / Concentrations:
23 g
- Control animals:
- not specified
Results and discussion
Main ADME results
- Type:
- metabolism
- Results:
- Five free metabolites in urine was identified .These included 3-oxo-b-ionone, 3-oxo-b-ionol, dihydro-3-oxob- ionol, 3-hydroxy-b-ionol and unchanged b-ionone. Additionally, two glucuronides of b-ionol were detected.
Metabolite characterisation studies
- Metabolites identified:
- yes
- Details on metabolites:
- The results showed that there were five free metabolites in urine. These included 3-oxo-b-ionone, 3-oxo-b-ionol, dihydro-3-oxob-ionol, 3-hydroxy-b-ionol and unchanged b-ionone.Additionally, two glucuronides of b-ionol were detected.Glucuronides were hydrolyzed with b-glucuronidase and
were identified as the glucuronides of 3-oxo-b-ionol and dihydro-3-oxo-b-ionol.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): no bioaccumulation potential based on study results
Urine samples were extracted and analyzed for b-ionone and its metabolites. The results showed that there were five free metabolites in urine. These included 3-oxo-b-ionone, 3-oxo-b-ionol, dihydro-3-oxob-ionol, 3-hydroxy-b-ionol and unchangedb-ionone. Additionally, two glucuronides ofb-ionol were detected.Glucuronides were hydrolyzed withb-glucuronidase and were identified as the glucuronides of 3-oxo-b-ionol and dihydro-3-oxo-b-ionol. - Executive summary:
4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one (b-Ionone) in aqueous suspension with gum Arabic was administered by stomach tube to a male albino rabbit weighing about 3.0 kg at a dose of 1 g/kg/day for seven days. The total administered dose was 23 g. Urine was collected everyday during the dosing period and for 4 days after the last dose. Urine samples were extracted and analyzed forb-ionone and its metabolites. The results showed that there were five free metabolites in urine. These included 3-oxo-b-ionone, 3-oxo-b-ionol, dihydro-3-oxob-ionol, 3-hydroxy-b-ionol and unchangedb-ionone. Additionally, two glucuronides ofb-ionol were detected.Glucuronides were hydrolyzed withb-glucuronidase and were identified as the glucuronides of 3-oxo-b-ionol and dihydro-3-oxo-b-ionol
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.