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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 221-209-5 | CAS number: 3031-66-1
- 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: Expert statement
- Adequacy of study:
- key study
- Study period:
- 2013-02-14
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Expert statement in the absence of toxicokinetic studies.
Data source
Reference
- Reference Type:
- other: Expert statement
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
- Objective of study:
- toxicokinetics
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Expert statement
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- Hex-3-yne-2,5-diol
- EC Number:
- 221-209-5
- EC Name:
- Hex-3-yne-2,5-diol
- Cas Number:
- 3031-66-1
- Molecular formula:
- C6H10O2
- IUPAC Name:
- hex-3-yne-2,5-diol
- Test material form:
- other: liquid
Constituent 1
Test animals
- Species:
- other: Expert statement
- Strain:
- other: Expert statement
- Details on test animals or test system and environmental conditions:
- Not applicable.
Administration / exposure
- Route of administration:
- other: Expert statement
- Vehicle:
- other: Expert statement
- Details on exposure:
- Not applicable.
- Duration and frequency of treatment / exposure:
- Not applicable.
Doses / concentrations
- Remarks:
- Doses / Concentrations:
Not applicable.
- No. of animals per sex per dose / concentration:
- Not applicable.
- Positive control reference chemical:
- Not applicable.
- Details on study design:
- Not applicable.
- Details on dosing and sampling:
- Not applicable.
- Statistics:
- Not applicable.
Results and discussion
- Preliminary studies:
- Not applicable.
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- After oral administration the substance is assumed to dissolve in the gastrointestinal fluids and absorption via aqueous pores or carriage across membranes with the bulk passage of water might occur as indicated by the high water solubility. In addition, absorption of the substance via passive diffusion might be favoured due to the log Pow value of -0.24. The LD50 evaluated in an oral acute toxicity study and the pathological and histopathological findings after repeated oral administration indicate that the compound becomes bioavailable after oral administration.
The test item is solidified or highly viscous at room temperature and the vapour pressure of the test item at 20 °C is estimated to be low. Therefore, inhalation of dust or vapour is unlikely. However, if the test item becomes available for inhalation, the test item might cross the respiratory tract epithelium by passive diffusion or active transport via aqueous pores as indicated by the small molecular weight and the physic-chemical properties of the substance. This assumption is supported by the results of the acute inhalation toxicity studies in which mortality and signs of systemic toxicity were observed.
Dermal absorption of hex-3-yne-2,5-diol is estimated to be low as uptake into the stratum corneum is limited by a high water solubility and a log Pow value below 0. No signs of systemic toxicity were observed in the available acute dermal toxicity studies. However, since the available LLNA revealed a skin sensitising effect, penetration through the skin has to occur to a certain extend.
Taken together, experimental data indicate bioavailability of the test substance via oral and inhalation route and to a certain extend also via dermal route. - Details on distribution in tissues:
- A wide distribution of the test substance in the organism is expected due to its low molecular weight and high water solubility. This assumption is supported by the adverse effects observed in the stomach, spleen, liver, kidney and bone marrow in the available combined repeated dose toxicity study with the reproduction/developmental toxicity screening test. Based on the low log Pow value no bioaccumulation of the test substance is expected.
- Details on excretion:
- Due to the low molecular weight, the high water solubility (>500 g/L) and the presumed metabolism hex-3-yne-2,5-diol and/or its metabolites are expected to be excreted via urine.
Metabolite characterisation studies
- Details on metabolites:
- The test substance might be oxidised to hex-3-yne-2,5-dion. A reduction of the triple bond by NAD(P)H-linked reductase is further considered resulting in corresponding alkene- and alkane-derivatives as already shown by Kitamura S. et al. (2002). In order to facilitate excretion conjugation of the parent compound and/or its metabolites with endogenous substrates is expected.
The test item did not induce gene mutations neither in the Ames test nor in the HPRT test in mammalian cells in the absence and in the presence of a metabolic activation system, respectively. However, there are indications of genotoxicity of the test item and/or its metabolites from the present cytogenetic test (BASF SE, 2012). In the presence of a metabolic activation system hex-3-yne-2,5-diol or rather its metabolites were shown to be clastogenic in vitro. Based on these data metabolic activation could not be excluded.
Bioaccessibility (or Bioavailability)
- Bioaccessibility (or Bioavailability) testing results:
- Based on the results of acute and repeated dose toxicity studies as well as on the structure, the molecular weight and the phys./chem. properties, the test substance can be considered to be bioavailable via oral, inhalation and possibly also via dermal route.
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.