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EC number: 947-155-9 | CAS number: -
- 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
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- November 28, 2018 to December 11, 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- yes
- Remarks:
- OPPTS 830.7840 is recommended for the water solubility determination of pure substances. MTDID 44428 is a mixture of isomers.
- GLP compliance:
- yes (incl. QA statement)
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- flask method
- Specific details on test material used for the study:
- -Source and lot/batch No.of test material: 41-4205-7138-6 (R-57318), CPDC Load ID S352546
- Expiration date of the lot/batch: May 01, 2020
- Purity test date: May 01, 2018 - Key result
- Water solubility:
- 4.98 mg/L
- Conc. based on:
- other: 2-octyl acrylate isomer
- Incubation duration:
- 8 d
- Temp.:
- 24.2 °C
- pH:
- 4.5
- Remarks on result:
- other: Unit reported as µg/mL
- Key result
- Water solubility:
- 5.24 mg/L
- Conc. based on:
- other: 3-octyl acrylate isomer
- Incubation duration:
- 8 d
- Temp.:
- 24.2 °C
- pH:
- 4.5
- Remarks on result:
- other: Unite reported as µg/mL
- Key result
- Water solubility:
- 4.35 mg/L
- Conc. based on:
- other: 4-octyl acrylate isomer
- Incubation duration:
- 8 d
- Temp.:
- 24.2 °C
- pH:
- 4.5
- Remarks on result:
- other: Unit reported as µg/mL
- Details on results:
- MTDID 44428 is a mixture of octyl acrylate isomers, the water solubility was determined for the 2-octyl acrylate isomer, 3-octyl acrylate isomer, and 4-octyl acrylate isomer. For 2-octyl acrylate isomer, the average measured water solubilities are 4.11 mg/L (RSD% = 19%), 5.56 mg/L (RSD% = 22%) and 5.26 mg/L (RSD = 9.7%) for Time Point 1, Time Point 2, Time Point 3, respectively. For 3-octyl acrylate isomer, the average measured water solubilities are 4.46 mg/L (RSD% = 16%), 5.72 mg/L (RSD% = 20%) and 5.55 mg/L (RSD = 9.4%) for Time Point 1, Time Point 2, Time Point 3, respectively. For 4-octyl acrylate isomer, the average measured water solubilities are 3.92 mg/L (RSD% = 15%), 4.59 mg/L (RSD% = 19%) and 4.53 mg/L (RSD = 9.3%) for Time Point 1, Time Point 2, Time Point 3, respectively.
The inter-day average measured water solubility of the 2-octyl acrylate isomer is 4.98 mg/L (RSD=21%, n=27), the average water solubility of the 3-octyl acrylate isomer is 5.24 mg/L (RSD=19%, n=27), and the average water solubility of the 4-octyl acrylate isomer is 4.35 mg/L (RSD=16%, n=27) at 24.2°C. - Conclusions:
- MTDID 44428 is a mixture of octyl acrylate isomers, the water solubility was determined for the 2-octyl acrylate isomer, 3-octyl acrylate isomer, and 4-octyl acrylate isomer. Under the conditions of this study, the average measured water solubility of the 2-octyl acrylate isomer is 4.98 mg/L (RSD=21%), the average water solubility of the 3-octyl acrylate isomer is 5.24 mg/L (RSD=19%), and the average water solubility of the 4-octyl acrylate isomer is 4.35 mg/L (RSD=16%) at 24.2°C.
- Executive summary:
The water solubility of MTDID 44428 was determined using OPPTS 830.7840 “Water Solubility: Column Elution Method; Shake Flask Method”.
Triplicate test vials were prepared by injecting 200 μl of MTDID 44428 into the test vials pre-filled with 30 mL Milli-Q reagent water. The vials were incubated horizontally at approximately 30°C with a shaker setting of 100 revolutions per minute (RPM) for 3 time points (2, 6, and 8 incubation days). At the end of each time point, vials were centrifuged for approximately 30 minutes at a setting of 1000 rpm, then carefully inverted and placed at room temperature for at least 24 hours to equilibrate to ambient temperature of 23.5 to 24.8 °C.Triplicate aliquots were removed from each vial and transferred to a separate polypropylene centrifuge tube. The centrifuge tube was vortex mixed, and 2.5 mL of methylene chloride was added to each centrifuge tube. The tube was capped, vortex mixed, sonicated for approximately 30 minutes, vortex mixed again and set aside to allow the layers to settle. After settling, 1.0 mL of the methylene chloride
layer was added to an autovial which had 20 µL of an internal standard solution added previously. All samples were analyzed using gas chromatography/mass spectrometry (GC/MS).
MTDID 44428 is a mixture of octyl acrylate isomers, the water solubility was determined for the 2-octyl acrylate isomer, 3-octyl acrylate isomer, and 4-octyl acrylate isomer. Under the conditions of this study, the average measured water solubility of the 2-octyl acrylate isomer is 4.98 mg/L (RSD=21%), the average water solubility of the 3-octyl acrylate isomer is 5.24 mg/L(RSD=19%), and the average water solubility of the 4-octyl acrylate isomer is 4.35 mg/L (RSD=16%) at 24.2°C.
This is a guideline study conducted under GLP. OPPTS 830.7840 is recommended for the water solubility determination of pure substances. Since MTDID 44428 is a mixture, it is not known what effect, if any, the different isomeric components will have on each individual isomer’s measured water solubility. Therefore, it is considered reliable with restriction and a key study.
Reference
Table 1. Summary of Measured Water Solubility of MTDID 44428 isomers
Analytes |
Time point |
average concentration (µg/mL) |
% RSD |
N |
2-Octyl acrylate |
1 |
4.11 |
19 |
9 |
|
2 |
5.56 |
22 |
9 |
|
3 |
5.26 |
9.7 |
9 |
Inter‐day Average |
|
4.98 |
21 |
27 |
3-Octyl acrylate |
1 |
4.46 |
16 |
9 |
|
2 |
5.72 |
20 |
9 |
|
3 |
5.55 |
9.4 |
9 |
Inter‐day Average |
|
5.24 |
19 |
27 |
4-Octyl acrylate |
1 |
3.92 |
15 |
9 |
|
2 |
4.59 |
19 |
9 |
|
3 |
4.53 |
9.3 |
9 |
Inter‐day Average |
|
4.35 |
16 |
27 |
Description of key information
MTDID 44428 is a mixture of octyl acrylate isomers, the water
solubility was determined for the 2-octyl acrylate isomer, 3-octyl
acrylate isomer, and 4-octyl acrylate isomer. Under the conditions of
this study, the average measured water solubility of the 2-octyl
acrylate isomer is 4.98 mg/L (RSD=21%), the average water solubility of
the 3-octyl acrylate isomer is 5.24 mg/L (RSD=19%), and the average
water solubility of the 4-octyl acrylate isomer is 4.35 mg/L (RSD=16%)
at 24.2°C.
Key value for chemical safety assessment
- Water solubility:
- 14.6 mg/L
- at the temperature of:
- 24.2 °C
Additional information
The water solubility of MTDID 44428 was determined using OPPTS 830.7840 “Water Solubility: Column Elution Method; Shake Flask Method”.
Triplicate test vials were prepared and incubated at approximately 30°C for 3 time points (2, 6, and 8 incubation days). At the end of each time point, vials were centrifuged and placed at room temperature for at least 24 hours to equilibrate to ambient temperature. Triplicate aliquots were removed from each vial and transferred to a separate polypropylene centrifuge tube. The samples were extracted with methylene chloride and was vortex and sonicate mixed. The methylene chloride layer of each sample was added to a solution containing internal standard and analyzed using gas chromatography/mass spectrometry (GC/MS).
MTDID 44428 is a mixture of octyl acrylate isomers, the water solubility was determined for the 2- octyl acrylate isomer, 3-octyl acrylate isomer, and 4-octyl acrylate isomer. Under the conditions of this study, the average measured water solubility of the 2-octyl acrylate isomer is 4.98 mg/L (RSD=21%), the average water solubility of the 3-octyl acrylate isomer is 5.24 mg/L(RSD=19%), and the average water solubility of the 4-octyl acrylate isomer is 4.35 mg/L (RSD=16%) at 24.2°C.
This is a guideline study conducted under GLP. OPPTS 830.7840 is recommended for the water solubility determination of pure substances. Since MTDID 44428 is a mixture, it is not known what effect, if any, the different isomeric components will have on each individual isomer’s measured water solubility. Therefore, it is considered reliable with restriction and a key study.
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