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EC number: 249-060-1 | CAS number: 28510-23-8
- 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
![](https://poisoncentres.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_physical-and-chemical-properties.png)
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 11 to 18 Jul 1995
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Study was conducted in accordance to recognised EU test guidelines
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- no
- Type of method:
- flask method
- Water solubility:
- 3.4 mg/L
- Temp.:
- 20 °C
- pH:
- >= 4.25 - <= 5.38
- Conclusions:
- The water solubility of 3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate CAS: 28510-23-8 was determined to be 3.4mg/L (at 20°C, ph 4.25 to 5.38)
- Executive summary:
A study was conducted on 3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate CAS: 28510-23-8 to assess its water solubility. The study was undertaken using non-purgeable organic carbon measurements against the test guidelines stipulated by EU Methods A.6 (Water Solubility).
Water solubility of the test item was determined to be: 3.4mg/L (at 20°C, ph 4.25 to 5.38)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13 to 16 Oct 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Study was conducted in accordance to recognised EU test guidelines
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Principles of method if other than guideline:
- Determination of water solubility of the test item according to test procedure VTA34N00003.01, which complies with EU test method L383 A/54-62 (EEC A.6.).
- GLP compliance:
- no
- Type of method:
- column elution method
- Water solubility:
- < 0.01 mg/L
- Temp.:
- 20 °C
- pH:
- 6.7
- Conclusions:
- Water solubility of the test substance was determined to be <0.001 mg/L (temperature 20°C, pH 6.7) using the column elution method.
- Executive summary:
A study was conducted on 3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate CAS: 28510-23-8 to assess its water solubility. The study was conducted in accordance with EU Method A.6 (Water solubility). Water solubility of the test item was determined to be <0.001 mg/L (temperature 20°C, pH 6.7) using the column elution method.
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 19 September 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Due to the differeing results obtained from water solubility, the QSAR has also been conducted for additional weight of evidence. The measured data will be taken as key data.
- Principles of method if other than guideline:
- Quantitative Structural-Activity Relationship based upon chemical structure devised from the SMILES code drawn from a database of >40,000 chemicals (called PHYSPROP©) that is included in the EPI Suite™ software
- GLP compliance:
- no
- Type of method:
- other: QSAR structural calculation
- Water solubility:
- 0.002 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Conclusions:
- The water solubility of the substance is considered to be 0.0022 mg/l at 25C based on a QSAR driven by the EPI Suite v4.0
- Executive summary:
The water solubility has been estimated by Quantitative Structural-Activity Relationship (QSAR) to assist with interpretation of available measured data. The QSAR model of choice was the EPI Suite v4.0 published by the United States Environmental Protection Agency and calculated based upon chemical structure devised from the SMILES code drawn from a database of >40,000 chemicals (called PHYSPROP©) that is included in the EPI Suite™ software. The estimated the water solubility is 0.0022 mg/l at 25oC.
Referenceopen allclose all
TABLE 1
Estimation of water solubility
Test substance: NPG 2EH
Flask no | pH of test solutions | Nominal concentration of test substance (mg l-1) | NPOC analysis mg l-1 | ||||||||
Day 1 | Day 2 | Day 3 | Day 4 | Day 5 | |||||||
Dilution water | - |
| 0.86 |
|
|
|
| ||||
1 | 4.29 | 5000 | 2.43+ |
|
|
|
| ||||
2 | 4.35 | 5000 |
| 4.74+* |
|
|
| ||||
3 | 4.26 | 5000 |
|
| 2.10+ |
|
| ||||
4 | 4.25 | 5000 |
|
|
| 2.29+ |
| ||||
5 | 5.38 | 5000 |
|
|
|
| 2.30+ | ||||
|
|
| Mean (day 1, 3, 4 & 5) | 2.28 | |||||||
+After subtraction of dilution water value
*Data point not included – probably contained undissolved material
NPOC: non-purgeable organic carbon
Quantitative determination of the analyte
Flow rate (mL/h) | Fraction No. | Water solubility (mg/L) |
25 | 1-4 | 0.02 |
| 5-8 | < 0.01 |
| 9-12 | < 0.01 |
| 13-16 | < 0.01 |
| 17-20 | < 0.01 |
| 21-24 | < 0.01 |
| 25-28 | < 0.01 |
| 29-32 | < 0.01 |
12 | 1-4 | < 0.01 |
| 5-8 | < 0.01 |
| 9-12 | < 0.01 |
| 13-16 | < 0.01 |
| 17-20 | < 0.01 |
| 21-24 | < 0.01 |
| 25-28 | < 0.01 |
| 29-32 | < 0.01 |
pH values: Millipore water: 6.8
Column eluate (united): 6.7
Recovery rate
The recovery rate was determined in duplicate (two independent replicates). An average recovery rate of 95% could be determined.
Linearity
Linearity could be shown over the whole calibration range from 0.01 to 5.3 mg/L (related to 40 mL of water, correlation coefficient R = 1.000).
Description of key information
BASF 2009
A study was conducted on 3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate CAS: 28510-23-8 to assess its water solubility. The study was conducted in accordance with EU Method A.6 (Water solubility). Water solubility of the test item was determined to be <0.001 mg/L (temperature 20°C, pH 6.7) using the column elution method.
Croda 1995
A study was conducted on 3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate CAS: 28510-23-8 to assess its water solubility. The study was undertaken using non-purgeable organic carbon measurements against the test guidelines stipulated by EU Methods A.6 (Water Solubility). Water solubility of the test item was determined to be: 3.4mg/L (at 20°C, ph 4.25 to 5.38)
QSAR 2016
The water solubility has been estimated by Quantitative Structural-Activity Relationship (QSAR) to assist with interpretation of available measured data. The QSAR model of choice was the EPI Suite v4.0 published by the United States Environmental Protection Agency and calculated based upon chemical structure devised from the SMILES code drawn from a database of >40,000 chemicals (called PHYSPROP©) that is included in the EPI Suite™ software. The estimated the water solubility is 0.0022 mg/l at 25oC.
Key value for chemical safety assessment
- Water solubility:
- 0.001 mg/L
- at the temperature of:
- 20 °C
Additional information
The water solubility (< 0.01 mg/L) of the substance NPG di-2-ethylhexanoate (CAS 28510-23-8) was determined with the column elution method according to EU Method A.6. The other value reported (3.4 mg/L, flask method) is assumed to be too high as the analytical method applied (NPOC measurement) is very sensitive to impurities. The column elution method applied in the key study is considered to be more selective and thus more reliable. This interpretation has been confirmed by conducting the QSAR estimation using the EPI Suite v.4.0 which estimates the water solubility to be 0.0022 mg/l and supporting the conclusion that the substance is considered insoluble in water.
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.
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