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EC number: 250-157-6 | CAS number: 30374-01-7
- 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:
- key study
- Study period:
- 2008-03-12 to 2008-09-30
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- GLP compliance:
- yes
- Remarks:
- The Department of Health of the Government of the United Kingdom
Test material
- Reference substance name:
- Isooctyl 3-mercaptopropionate
- EC Number:
- 250-157-6
- EC Name:
- Isooctyl 3-mercaptopropionate
- Cas Number:
- 30374-01-7
- Molecular formula:
- C11H22O2S
- IUPAC Name:
- 2-methylheptyl 3-sulfanylpropanoate
- Details on test material:
- - Name of test material (as cited in study report): Isooctyl 3-mercaptopropionate (IOMP)
- Substance type: clear colourless liquid
- Physical state: liquid
- Analytical purity: 99.9%
- Lot/batch No.: 0000022432
- Expiration date of the lot/batch: 24 February 2009
- Stability under test conditions: test material undergoes oxidation and required extra precautions to prevent this. See 'any other information on material and methods'
- Storage condition of test material: room temperature, in the dark
Constituent 1
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Buffers:
- pH adjusted water used instead of buffers. See 'any other information on material and methods' for further details
- Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: stoppered glass flasks
- Sterilisation method: distilled water was subject to ultrasonication and filtered through a 0.2 µm membrane filter
- Lighting: shielded from light
- Measures to exclude oxygen: degassing with nitrogen
- Details on test procedure for unstable compounds: see "any other information on materials and methods"
- If no traps were used, is the test system closed/open : closed
TEST MEDIUM
- Volume used/treatment: 100 mL
- Kind and purity of water:
- Preparation of test medium:
- Renewal of test solution:
- Identity and concentration of co-solvent: 1% acetonitrile
OTHER TEST CONDITIONS
- Adjustment of pH: yes; pH 1.2 (conc. hydrochloric acid), pH 4 (0.1M or 1M hydrochloric acid), 7 (0.1M sodium hydroxide), pH 9 (0.1 M sodium hydroxide)
- Dissolved oxygen:
Duration of testopen allclose all
- Duration:
- 528 h
- pH:
- 4
- Temp.:
- 25 °C
- Initial conc. measured:
- 2.84 mg/L
- Duration:
- 288 h
- pH:
- 4
- Temp.:
- 40 °C
- Initial conc. measured:
- 2.7 mg/L
- Duration:
- 312 h
- pH:
- 7
- Temp.:
- 25 °C
- Initial conc. measured:
- 2.41 mg/L
- Duration:
- 48 h
- pH:
- 7
- Temp.:
- 40 °C
- Initial conc. measured:
- 2.63 mg/L
- Duration:
- 48 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 2.6 mg/L
- Duration:
- 264 h
- pH:
- 9
- Temp.:
- 25 °C
- Initial conc. measured:
- 2.66 mg/L
- Duration:
- 5 h
- pH:
- 9
- Temp.:
- 40 °C
- Initial conc. measured:
- 3.07 mg/L
- Duration:
- 4 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 2.59 mg/L
- Duration:
- 24 h
- pH:
- 1.2
- Temp.:
- 37 °C
- Initial conc. measured:
- 2.79 mg/L
- Number of replicates:
- 2
- Positive controls:
- yes
- Remarks:
- Acetone
- Negative controls:
- yes
- Remarks:
- adjusted water
Results and discussion
- Preliminary study:
- pH 4, at 50°C, 236 hours; half-life: 4.24 days
pH 7, at 50°C, 120 hours; half-life: 1.57 days
pH 9, at 50°C, 2.4 hours; indication that further test were required at 25°C, 40°C and 50°C - Transformation products:
- yes
Identity of transformation productsopen allclose all
- No.:
- #1
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- iso-octyl alcohol
- Identifier:
- common name
- Identity:
- iso-octyl alcohol
- No.:
- #2
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- 3-sulfanylpropanoic acid
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 203-537-0]
- CAS number:
- 107-96-0
- Identifier:
- IUPAC name
- Identity:
- 3-sulfanylpropanoic acid
- Identifier:
- common name
- Identity:
- 3-MPA
- Identifier:
- PubChem
- Identity:
- 3-Mercaptopropionic acid
- Molecular formula:
- C3H6O2S
- Molecular weight:
- 106.144
- SMILES notation:
- OC(=O)CCS
- InChl:
- InChI=1/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
- Details on hydrolysis and appearance of transformation product(s):
- The iso-octyl alcohol was observed in the typical chromatography at approx. 6.5 and 7.5 min as the recovery method for the test material was also able to partly extract this hydrolysis product. The hydrolysis product, 3-mercaptopropionic acid, was not seen in the test sample chromatography as being highly water soluble it was not extracted by the recovery method.
Total recovery of test substance (in %)open allclose all
- % Recovery:
- 70.8 - 82.2
- pH:
- 1.2
- % Recovery:
- 70.8 - 74.1
- pH:
- 4
- % Recovery:
- 72.7 - 84.1
- pH:
- 7
- % Recovery:
- 75.7 - 88.5
- pH:
- 9
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- s-1
- DT50:
- 13.9 d
- Type:
- not specified
- Remarks on result:
- other: rate constant: 5.79 x 10^-7
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- s-1
- DT50:
- 8.57 d
- Type:
- not specified
- Remarks on result:
- other: rate constant: 9.36 x 10^-7
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- s-1
- DT50:
- 2.76 d
- Type:
- not specified
- Remarks on result:
- other: rate constant: 2.91 x 10^-7
- Details on results:
- Under the physiologically relevant conditions of pH 1.2, 37.0 ± 0.5°C, the half-life of the test material was determined to be 18.8 hours.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
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