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EC number: 246-613-9 | CAS number: 25103-09-7
- 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
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Study period:
- August 16 to December 04, 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 003
- Report date:
- 2003
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- GLP compliance:
- yes
Test material
- Reference substance name:
- Isooctyl mercaptoacetate
- EC Number:
- 246-613-9
- EC Name:
- Isooctyl mercaptoacetate
- Cas Number:
- 25103-09-7
- Molecular formula:
- C10H20O2S
- IUPAC Name:
- 2-methylheptyl 2-sulfanylacetate
- Details on test material:
- Identification: Isooctyl thioglycolate (IOTG)
CAS no. 25103-09-7
Source: Bruno Bock Chemische Fabrik GmbH and CoKG
Batch number: 0000002282
Purity: 99.6% (w/w)
Constituent 1
- Radiolabelling:
- no
Results and discussion
- Transformation products:
- not measured
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- 8.7 h
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 7.2 h
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- 13.7 h
- pH:
- 1.2
- Temp.:
- 38 °C
- DT50:
- 6.6 h
Any other information on results incl. tables
During the preliminary test the degradation of IOTG, at each
pH value, indicated an hydrolysis lower than 50% after 2.4
hours and higher than 10% after 3 days. IOTG was considered
as hydrolytically unstable. The hydrolysis rate was then
determined at three different temperatures (50°C,
66°C(twice) and 80°C) for each buffer and one temperature
(37°C) for pH=1,2. The determination was performed to cover
approximately 20-70% hydrolysis.
The results of this test indicated a pseudo-first order
reaction kinetic
The hydrolysis rate constants (Kobs) and half lives (t1/2)
of IOTG at each pH can be tabulated as follows:
Buffer Temperature Slope Kobs t½
(pH) (deg C) (h-1) (h-1) (h)
1.2 38 -0.0456 0.105 6.6
4.0 50 -0.112 0.258 2.7
4.0 66 -0.180 0.415 1.7
4.0 66 -0.180 0.415 1.7
4.0 80 -0.351 0.807 0.9
7.0 50 -0.137 0.316 2.2
7.0 66 -0.200 0.462 1.5
7.0 66 -0.224 0.517 1.3
7.0 80 -0.428 0.986 0.7
9.0 50 -0.0963 0.222 3.1
9.0 66 -0.236 0.543 1.3
9.0 66 -0.262 0.604 1.1
9.0 80 -0.444 1.02 0.7
The values of the Kobs and t½ at 25°C for each pH were
obtained by extrapolation.
Applicant's summary and conclusion
- Conclusions:
- Following advanced tests results, IOTG can be considered as
hydrolytically unstable with:
Kobs = -0.0456 h-1 and t½ = 6.6 h at 38°C for pH 1.2,
Kobs = 0.0345 h-1 and t½ = 8.7 h at 25°C for pH 4.0
(estimation),
Kobs = 0.0419 h-1 and t½ = 7.2 h at 25°C for pH 7.0
(estimation),
Kobs = 0.0220 h-1 and t½ = 13.7 h at 25°C for pH 9.0
(estimation).
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