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EC number: 201-108-2 | CAS number: 78-35-3
- 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
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 19 May - 02 August, 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: A modern GLP study conducted according the appropriate guidelines.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
Test material
- Reference substance name:
- 1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
- EC Number:
- 201-108-2
- EC Name:
- 1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
- Cas Number:
- 78-35-3
- Molecular formula:
- C14H24O2
- IUPAC Name:
- 1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
- Reference substance name:
- Unknown impurities
- Molecular formula:
- not applicable
- IUPAC Name:
- Unknown impurities
- Test material form:
- liquid
- Details on test material:
- Commercial name: Linalyl isobutyrate
Chemical name: 3,7-dimethylocta-1,6-dien-3-yl isobutyrate
Empirical formula: C14H24O2
Molecular weight: 224.4 g/mol
EC No.: 201-108-2
CAS No.: 78-35-3
Appearance/physical state: clear colorless liquid
Constituent 1
impurity 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- 3.47 mg/L
- Temp.:
- 20 °C
- Remarks on result:
- other: Short-term evaluation using reduced saturation periods of 1 to 3 hours to minimise hydrolysis/degradation products contributing to the total sample response.
- Details on results:
- Water Solubility was in the range 1.55 x 10-3 to 2.79 x 10-3 g/L of solution for the parent test item at 20.0 ± 0.5 ºC , using a flask method with standardized saturation and re-equilibration times. However, the test item was identified to significantly degrade/hydrolyze in the presence of water, with an accumulation of hydrolysis/degradation products contributing to the total sample response on analysis.
A short-term evaluation of water solubility using reduced saturation time periods of 1 to 3 hours and a re-equilibration period of only 1 hour resulted in a predominantly parent test item response on analysis. The concentration of the parent test item in solution was in the range 2.18 x 10-3 to 3.58 x 10-3 g/L of solution at 20.0 ± 0.5 ºC, with a possible saturation plateau obtained for the first two samples, prepared using initial saturation periods of 1 and 2 hours. These two samples resulted in a mean concentration of 3.47 x 10-3 g/L of solution at 20.0 ± 0.5 ºC (individual samples concentrations were 3.36 x 10-3 and 3.58 x 10-3 g/L respectively).
Due to the hydrolysis of this test item in water, the short-term evaluation result of 3.47 x 10-3 g/L of solution at 20.0 ± 0.5 ºC was considered to most appropriately describe the water solubility of the parent test item.
Any other information on results incl. tables
No further data
Applicant's summary and conclusion
- Conclusions:
- The water solubility of Linalyl isobutyrate was in the range 1.55 x 10-3 to 2.79 x 10-3 g/L of solution for the parent test item at 20.0 ± 0.5 ºC using standardized saturation and re-equilibration times
Due to the hydrolysis of this test item in water, the short-term evaluation result of 3.47 x 10-3 g/L of solution at 20.0 ± 0.5 ºC was considered to most appropriately describe the water solubility of the parent test item. - Executive summary:
The water solubility of the parent test item has been determined to be in the range 1.55 x 10-3 to 2.79 x 10-3 g/L of solution at 20.0 ± 0.5 ºC under the standardized saturation and re-equilibration times presented in the method guidelines. However, the test item was identified to significantly degrade/hydrolyze in the presence of water, with an accumulation of hydrolysis/degradation products contributing significantly to the total sample response on analysis. A short-term evaluation of water solubility using reduced saturation time periods of 1 to 3 hours and a re-equilibration period of only 1 hour resulted in a predominantly parent test item response on analysis. The concentration of the parent test item in solution was in the range 2.18 x 10-3 to 3.58 x 10-3 g/L of solution at 20.0 ± 0.5 ºC, with a possible saturation plateau obtained for the first two samples, prepared using initial saturation periods of 1 and 2 hours. These two samples resulted in a mean concentration of 3.47 x 10-3 g/L of solution at 20.0 ± 0.5 ºC (individual samples concentrations were 3.36 x 10-3 and 3.58 x 10-3 g/L). Due to the hydrolysis of this test item in water, the short-term evaluation result of 3.47 x 10-3 g/L of solution at 20.0 ± 0.5 ºC was considered to most appropriately describe the water solubility of the parent test item.
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