Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 292-081-6 | CAS number: 90530-40-8
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Remarks:
- Water solubility was measured experimentally for a series of alkyl-methacrylate esters from Methyl methacrylate to Decyl methacrylate. Molecular volume plotted against water solubility (on a log10scale)
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Justification for type of information:
- Water solubility was measured experimentally for a series of alkyl-methacrylate esters from Methyl methacrylate to Decyl methacrylate. The water solubility of alkyl-methacrylate esters decreses with increasing alkyl-chain length. Methyl methacrylate is the most soluble ester in water (measured 15.3 g/kg) at 20 °C. 2-Ethylhexyl methacrylate was the largest ester whose solubility was measured experimentally (lowest solubility with a value of 0.0078 g/kg at 20°C).
The water solubility of the alkyl-methacrylate esters decreses exponentially when plotted against molecular volume. The water solubility of both straight and branched chained members of the series showed a direct dependance on molecular volume. Molecular volume plotted against water solubility (on a log10scale) was linear. Threfore the water solubility was estimated by the linear regression analysis of data for those esters whose solubility was measured experimentally. - Qualifier:
- no guideline available
- Principles of method if other than guideline:
- QSAR-prediction by linear regression analysis of data for those esters whose solubility was measured experimentally.
- GLP compliance:
- no
- Type of method:
- other: calculated
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 22-902-13914-28
- Purity: > 98 % - Key result
- Water solubility:
- 5.3 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- Remarks on result:
- other: original value: 0.0053 g/kg
- Conclusions:
- Using a valid scientific method the water solubility of the substance is 5.3 mg/L (original value: 0.0053 g/kg) at 20°C.
- Executive summary:
Using a valid scientific method the water solubility of the substance is 5.3 mg/L (original value: 0.0053 g/kg) at 20°C.
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2016-10-11
- 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 limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
MPBPVP from EPI Suite v. 4.10 (US-EPA, 2000 -2008)
2. MODEL (incl. version number)
WSKOW v1.42
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : O=C(OCCCCCCCC)C(=C)C - Principles of method if other than guideline:
- calculated using EpiSuite 4.10 (US EPA, 2008)
US EPA. [2008]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.10 ]. United States Environmental Protection Agency, Washington, DC, USA. - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: CCCCCCCCOC(=O)C(C)=C
- Water solubility:
- 4.216 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: WSKOW Win predicted value
- Conclusions:
- The water solubility of n-octyl methacrylate is calulated to be 4.22 mg/L using WSKOW WIN from EPI Suite v. 4.10 (US-EPA, 2000 -2008).
US EPA. [2008]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.10 ]. United States Environmental Protection Agency, Washington, DC, USA. - Executive summary:
The water solubility of n-octyl methacrylate is calulated to be 4.22 mg/L using WSKOW WIN from EPI Suite v. 4.10 (US-EPA, 2000 -2008).
US EPA. [2008]. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.10 ]. United States Environmental Protection Agency, Washington, DC, USA.
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study, GLP
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Water solubility:
- 3.1 mg/L
- Temp.:
- 20 °C
- Remarks on result:
- other: The solubility of the test item 2-Ethylhexyl methacrylate was determined to be 3.01 mg/L at 30 ± 0.5 °C and 3.07 mg/L at 20 ± 0.5 °C
- Conclusions:
- In a guideline study using the columns elution method the solubility of 2-EHMA in water was determined to be 3.1 mg/L at 20 °C.
- Executive summary:
In a guideline study using the columns elution method the solubility of 2-EHMA in water was determined to be 3.1 mg/L at 20 °C.
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10
- Water solubility:
- 0.001 g/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculation using EpiWin version 4.10. The EPIWIN model was run using the following measured physical chemical properties: melting point: -116°C and logPow: 6.45.
- Conclusions:
- slightly soluble (0.1-100 mg/L)
A reliable calculated value for water solubility of the test substance is 0.001359 g/L at 25 °C (calculation using EpiWin version 4.10). - Executive summary:
A reliable calculated value for water solubility of the test substance is 0.001359 g/L at 25 °C (calculation using EpiWin version 4.10).
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10
- Water solubility:
- 0.002 g/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculation using EpiWin version 4.10. The EPIWIN model was run using the following measured physical chemical properties: melting point: -116°C and logPow: 6.45.
- Conclusions:
- slightly soluble (0.1-100 mg/L)
A reliable calculated value for water solubility of the test substance is 0.00157 g/L at 25 °C (calculation using EpiWin version 4.10). - Executive summary:
A reliable calculated value for water solubility of the test substance is 0.00157 g/L at 25 °C (calculation using EpiWin version 4.10).
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10
- Water solubility:
- 0.436 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculation using EpiWin version 4.10.
- Conclusions:
- slightly soluble (0.1-100 mg/L)
A reliable calculated value for water solubility of the test substance is 0.4359 mg/L at 25 °C (calculation using EpiWin version 4.10). - Executive summary:
A reliable calculated value for water solubility of the test substance is 0.4359 mg/L at 25°C (calculation using EpiWin version 4.10).
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study OECD 105, GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- (1995)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Water solubility:
- 199 µg/L
- Temp.:
- 20 °C
- pH:
- 8
- Remarks on result:
- other: The limit of quantification of the analytical method was fixed at 100 µg/L.
- Water solubility:
- 155 µg/L
- Temp.:
- 30 °C
- pH:
- 8
- Remarks on result:
- other: The limit of quantification of the analytical method was fixed at 100 µg/L.
- Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
In a valid guideline study (OECD 105, with GLP) using the columns elution method the solubility of in water was determined to be 199 µg/L at 20 °C and 155 µg/L at 30 °C. The pH value of all test solutions was 8. So the test substance is considered to be slightly soluble. No temperature dependence of the water solubility was observed. - Executive summary:
In a valid guideline study (OECD 105, with GLP) using the columns elution method the solubility of in water was determined to be 199 µg/L at 20 °C and 155 µg/L at 30 °C. The pH value of all test solutions was 8.
Analyses were performed by HPLC-UV on a reversed-phase column (C 18) with online extraction against an external standard. The method was validated with satisfactory results with respect to linearity, accuracy, precision and specificity. The pH values of the samples were measured with special indicator sticks. All samples were checked negative for colloidal material by measuring of the Tyndall effect.
So the test substance is considered to be slightly soluble. No temperature dependence of the water solubility was observed.
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10
- Water solubility:
- 0.001 g/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculation using EpiWin version 4.10. The EPIWIN model was run using the following measured physical chemical properties: melting point: -116°C and logPow: 6.45.
- Conclusions:
- slightly soluble (0.1-100 mg/L)
A reliable calculated value for water solubility of the test substance is 0.00139 g/L at 25 °C (calculation using EpiWin version 4.10). - Executive summary:
A reliable calculated value for water solubility of the test substance is 0.00139 g/L at 25 °C (calculation using EpiWin version 4.10).
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10
- Water solubility:
- 0.002 g/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculation using EpiWin version 4.10. The EPIWIN model was run using the following measured physical chemical properties: melting point: -116°C and logPow: 6.45.
- Conclusions:
- slightly soluble (0.1-100 mg/L)
A reliable calculated value for water solubility of the test substance is 0.00161 g/L at 25 °C (calculation using EpiWin version 4.10). - Executive summary:
A reliable calculated value for water solubility of the test substance is 0.00161 g/L at 25 °C (calculation using EpiWin version 4.10).
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study, GLP.
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7860 (Water Solubility Generator Column Method)
- Version / remarks:
- March 1998
- Deviations:
- yes
- Remarks:
- The recommended extractor and analytical columns are no longer available. Therefore comparable material had to be used. Calculations were adapted to the requirements of the equipment.
- Principles of method if other than guideline:
- Determination of the water solubility of the test item employing the generator column method. The test item was eluted by water from a micro
generator column which was charged with a solid support material and previously coated with an excess of the test item. The water solubility is given by the mass concentration of the eluate. - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Water solubility:
- < 1 µg/L
- Temp.:
- 25 °C
- pH:
- ca. 7
- Remarks on result:
- other:
- Remarks:
- pH: 7 assumed not determined
- Details on results:
- The water solubility concentration was calculated using an external standard. The mean water solubility concentration was calculated
from three samples including standard deviation and coefficient of variation. Sample volumes were obtained by determination of the sample
mass and dividing by the density of water at 25 "C (0.997 g/mL). - Conclusions:
- Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The mean value of the water solubility of the test item Lauryl methacrylate was determined to be 0.3 µg/L at a test temperature of 25.0 ±0.05 °C.
According to the guideline a water solubility of < 1 µg/L was reported. The examination of the Tyndall effect gave negative results for all samples. - Executive summary:
The water solubility of Lauryl methacrylate (purity: 98.34 %) was determined according to US-EPA OPPTS 830.7860. The solubility of the test item Lauryl methacrylate was determined using the Generator Column Method at 25 ± 0.05 °C. The mean value obtained from three samples differed within 0.3 %.
The water solubility of the test item Lauryl methacrylate was determined to be < 1 µg/L at 25 "C.
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10
- Water solubility:
- 0.004 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculation using EpiWin version 4.10. The EPIWIN model was run using the following measured physical chemical properties: melting point: -116°C and logPow: 6.45.
- Conclusions:
- slightly soluble (0.1-100 mg/L)
A reliable calculated value for water solubility of the test substance is 0.00446 mg/L at 25 °C (calculation using EpiWin version 4.10). - Executive summary:
A reliable calculated value for water solubility of the test substance is 0.00446 mg/L at 25 °C (calculation using EpiWin version 4.10).
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
Referenceopen allclose all
Water Sol from Kow (WSKOW v1.42) Results:
========================================
CAS Number: 2696-43-7
SMILES : CCCCCCCCCOC(=O)C(C)=C
CHEM :
MOL FOR: C13 H24 O2
MOL WT : 212.34
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 5.20
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 259.03 (Adapted Stein & Brown method)
Melting Pt (deg C): 13.65 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0168 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.24 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.359
log Kow used: 5.20 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.3432 mg/L
Water Sol from Kow (WSKOW v1.42) Results:
========================================
CAS Number: 85005-57-8
SMILES : CC(C)CCCCCCOC(=O)C(C)=C
CHEM :
MOL FOR: C13 H24 O2
MOL WT : 212.34
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 5.13
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 248.60 (Adapted Stein & Brown method)
Melting Pt (deg C): 3.11 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0293 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 3.91 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.57
log Kow used: 5.13 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.927 mg/L
Water Sol from Kow (WSKOW v1.42) Results:
========================================
Water Sol: 0.4359 mg/L
SMILES : O=C(OCCCCCCCCCC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, decyl ester
MOL FOR: C14 H26 O2
MOL WT : 226.36
---------------------------------- WSKOW v1.42 Results ------------------------
Log Kow (estimated) : 5.70
Log Kow (experimental): not available from database
Log Kow used by Water solubility estimates: 5.70
Equation Used to Make Water Sol estimate:
Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction
(used when Melting Point NOT available)
Correction(s): Value
-------------------- -----
No Applicable Correction Factors
Log Water Solubility (in moles/L) : -5.715
Water Solubility at 25 deg C (mg/L): 0.4359
Water Sol from Kow (WSKOW v1.42) Results:
========================================
CAS Number: 16493-35-9
SMILES : CCCCCCCCCCCOC(=O)C(C)=C
CHEM :
MOL FOR: C15 H28 O2
MOL WT : 240.39
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 6.19
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 291.26 (Adapted Stein & Brown method)
Melting Pt (deg C): 23.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0031 (Modified Grain method)
VP (Pa, 25 deg C) : 0.413 (Modified Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.1393
log Kow used: 6.19 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.2237 mg/L
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.57
log Kow used: 5.13 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.927 mg/L
Water Sol from Kow (WSKOW v1.42) Results:
========================================
CAS Number: 94247-04-8
SMILES : CC(C)CCCCCCCCOC(=O)C(C)=C
CHEM :
MOL FOR: C15 H28 O2
MOL WT : 240.39
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 6.11
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 281.93 (Adapted Stein & Brown method)
Melting Pt (deg C): 24.11 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00507 (Modified Grain method)
VP (Pa, 25 deg C) : 0.676 (Modified Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.161
log Kow used: 6.11 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.3749 mg/L
The mean value obtained from three samples differed within 0.3 %.
The examination of the Tyndall effect gave negative results for all samples.
The measured water solubility was 0.3 µg/L, but this value was below the
detection limit.
Solubility Results of the Test Item Lauryl methacrylate
Solubility Results for Lauryl methacrylate
Flow rate: 1.0 ml/min
Sample Peak Area Mass Sample volume Water Solubility
[mAU] [ng] [mL] [µg/L]
---------------------------------------------------------------------------
1 36.283 33.4 121.166 0.276
2 36.630 33.7 121.016 0.278
3 36.345 33.5 121.105 0.277
---------------------------------------------------------------------------
Mean -- -- -- 0.277
SD -- -- -- 8.16 x 10E-4
CV [%] -- -- -- 0.295
---------------------------------------------------------------------------
SD = Standard deviation
CV = Coefficient of variation
-- = not calculated
The examination of the Tyndall effect gave negative results for all samples.
Solubility Results of the Reference Item Hexachlorobenzene
The mean value of the water solubility of the reference item Hexachlorobenzene was determined to be 9.46 µg/L at a test temperature of 25.0 ±0.05 °C.
The examination of the Tyndall effect gave negative results for all samples.
Literature values for the water solubility of Hexachlorobenzene are given from 4.65 to 9.9 µg/L (corresponding to 0.004664 - 0.00996 ppm) at 25 °C. A density of 0.997 g/cm³ was taken into account. The determined water solubility shows good correspondence with these values.
Water Sol from Kow (WSKOW v1.42) Results:
========================================
CAS Number: 2549-53-3
SMILES : CCCCCCCCCCCCCCOC(=O)C(C)=C
CHEM :
MOL FOR: C18 H34 O2
MOL WT : 282.47
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): 7.66
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 7.66
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 332.84 (Adapted Stein & Brown method)
Melting Pt (deg C): 54.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000178 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0238 (Modified Grain method)
Subcooled liquid VP: 0.000336 mm Hg (25 deg C, Mod-Grain method)
: 0.0447 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.004456
log Kow used: 7.66 (user entered)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0064368 mg/L
Description of key information
Read across to the individual substances n-Nonyl methacrylate, i-Nonyl methacrylate, n-Decyl methacrylate (n-DMA), i-Decyl methacrylate (i-DMA), n-Undecyl methacrylate, i-Undecyl methacrylate, n-Lauryl methacrylate (n-LMA) and n-Tetradecyl methacrylate (n-TDMA) of NUMA UVCB substance and structural analogue substances of NUMA n-Octyl methacrylate and 2 -Ethylhexyl methacrylate (2 -EHMA):
n-Octyl methacrylate: water solubility: 0.005 g/L at 20 °C calculated data (Jones O (2002))
n-Octyl methacrylate: water solubility: 0.004 g/L at 25 °C calculated with EPWin v. 4.1 KSKOW version 1.42 (Evonik (2018))
2 -Ethylhexyl methacrylate: water solubility: 0.003 g/L at 20°C experimental data (Lange J (2009))
n-Nonyl methacrylate: water solubility: 0.0014 g/L at 25 °C calculated with EPWin v. 4.1 KSKOW version 1.42 (Evonik (2018))
i-Nonyl methacrylate: water solubility: 0.0016 g/L at 25 °C calculated with EPWin v. 4.1 KSKOW version 1.42 (Evonik (2018))
n-Decyl methacrylate: water solubility: 0.0044 g/L at 25 °C calculated with EPWin v. 4.1 KSKOW version 1.42 (Evonik (2018))
i-Decyl methacrylate: water solubility: 0.0002 g/L at 20°C experimental data (Lange J (2009))
n-Undecyl methacrylate: water solubility: 0.0001 g/L at 25 °C calculated with EPWin v. 4.1 KSKOW version 1.42 (Evonik (2018))
i-Undecyl methacrylate: water solubility: 0.0002 g/L at 25 °C calculated with EPWin v. 4.1 KSKOW version 1.42 (Evonik (2018))
n-Lauryl methacrylate: water solubility: < 1 µg/L at 20°C experimental data (Lange J (2004))
n-Tetradecyl methacrylate: 0.0000045 g/L at 25 °C calculated with EPWin v. 4.1 KSKOW version 1.42 (Evonik (2018))
Overall, the physicochemical properties of the constituents of NUMA are showing a regular pattern. The water solubility decrease considerably with increasing ester size.
Key value for chemical safety assessment
- Water solubility:
- 0.001 g/L
- at the temperature of:
- 25 °C
Additional information
Read across to the individual substances n-Nonyl methacrylate, i-Nonyl methacrylate, n-Decyl methacrylate (n-DMA), i-Decyl methacrylate (i-DMA), n-Undecyl methacrylate, i-Undecyl methacrylate,n-Lauryl methacrylate (n-LMA) and n-Tetradecyl methacrylate (n-TDMA) of NUMA UVCB substance and structural analogue substances of NUMA n-Octyl methacrylate and 2 -Ethylhexyl methacrylate (2 -EHMA):
Overall, the physicochemical properties of the constituents of NUMA are showing a regular pattern. With increasing chain length, the water solubility decreases considerably.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
