Registration Dossier
Registration Dossier
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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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- 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:
- Method: (calculated) Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10 (KOWIN version 1.68).
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 5.2
- Remarks on result:
- other: Calculation with the EPIWIN model (Log Kow(version 1.68).
- Conclusions:
- Using a valid estimation model the calculated partition coefficient was log Pow: 5.20 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version
1.68). - Executive summary:
Using a valid estimation model the calculated partition coefficient was log Pow: 5.20 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version 1.68).
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:
- partition coefficient
- 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:
- Method: (calculated) Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10 (KOWIN version 1.68).
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 5.1
- Remarks on result:
- other: Calculation with the EPIWIN model (Log Kow(version 1.68).
- Conclusions:
- Using a valid estimation model the calculated partition coefficient was log Pow: 5.13 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version
1.68). - Executive summary:
Using a valid estimation model the calculated partition coefficient was log Pow: 5.13 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version 1.68).
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:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method. Peer reviewed estimation.
- Principles of method if other than guideline:
- Method: (calculated) Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10.
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 5.7
- Remarks on result:
- other: Calculation with the EPIWIN model (Log Kow(version 1.68).
- Conclusions:
- Using a valid estimation model the calculated partition coefficient was log Pow: 5.70 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version
1.68). - Executive summary:
Using a valid estimation model the calculated partition coefficient was log Pow: 5.70 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version 1.68).
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:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2009-10-30 to 2009-10-31
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- GLP
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- (2004)
- Deviations:
- yes
- Remarks:
- minor; Sodium nitrate was used instead of an organic substance for the determination of the dead time (reason: small inorganic molecule has less interaction on a reversed phase chromatographic column than organic substances. Standards injected separately.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- Council Regulation (EC) No. 440/2008
- Deviations:
- yes
- Remarks:
- minor; Sodium nitrate was used instead of an organic substance for the determination of the dead time (reason: small inorganic molecule has less interaction on a reversed phase chromatographic column than organic substances. Standards injected separately.
- Principles of method if other than guideline:
- The partition coefficient (P) is defined as the ratio of the equilibrium concentrations (c) of a dissolved substance in a two-phase system consisting of
two largely immiscible solvents. In the case n-octanol and water:
Pow = C n-octanol / C water
The partition coefficient therefore is the quotient of two concentrations and is usually given in the form of its logarithm to base 10 (log P).
For preliminary information the following calculated value was available (estimation software EPIWIN): log Pow = 5.62 (calculation was made with the measured boiling point: 263°C and the measured melting point (glas transition temperature): -116°C)
As the HPLC method is applicable when the log Pow value falls within the range 0 to 6, that method was chosen for the determination of the partition
coefficient. HPLC is performed on analytical columns packed with a commercially available solid phase containing long hydrocarbon chains chemically bound onto silica. Chemicals injected onto such a column move along it at different rates because of the different degrees of partitioning between
the mobile phase and the hydrocarbon stationary phase. Mixtures of chemicals are eluted in order of their hydrophobicity, with water-soluble
chemicals eluted first and oil-soluble chemicals last, in proportion to their hydrocarbon-water partition coefficient. This enables the relationship
between the retention time on such a (reverse phase) column and the n-octanol / water partition coefficient to be established. The partition
coefficient is deduced from the capacity factor k', given by the expression
t(r) - t(0)
k'= -------------
t(0)
in which, t(r) = retention time of the test substance, and t(o) = average time a solvent molecule needs to pass through the column (dead time).
The test substance was dissolved in n-octanol and water at varying concentrations and analzyed by HPLC. The elution times were used to calculate
the capacity factor k', from which the partition coefficient was deduced. - GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 6.45 - <= 7.44
- Temp.:
- 22 °C
- pH:
- ca. 7
- Remarks on result:
- other: According to OECD 117 and EU test method A.8. 8 Isomers of the test item Isodecyl methacrylate were detected during the determination of the partition coefficient. The log Pow was reported to be 6.45, 6.66, 6.88, 6.97, 7.08, 7.35 and 7.44.
- Details on results:
- Eight components (chain length isomers) were detected. Since the highest log Pow of the reference items is 6.50 (4.4'-DDT) the results for the
isomers were extrapolated. - Conclusions:
- The partition coefficient n-octanol / water (Pow) of Isodecyl methacrylate was determined according to OECD guideline 117 and EU test method A.8 with the HPLC method. Eight isomers of the test item Isodecyl methacrylate were detected during the determination of the partition coefficient (n-octanol/water) log Pow. The partition coefficient n-octanol / water (Pow) was reported to be 6.45, 6.66, 6.88, 6.97, 7.08, 7.35 and 7.44. The results of isomer 2 to isomer 8 were extrapolated. The main component (isomer 5) has an estimated log Pow of 7.08.
- Executive summary:
The partition coefficient n-octanol / water (Pow) of Isodecyl methacrylate was determined according to OECD guideline 117 and EU test method A.8 with the HPLC method. Eight isomers of the test item Isodecyl methacrylate were detected during the determination of the partition coefficient (n-octanol/water) log Pow. The partition coefficient n-octanol / water (Pow) was reported to be 6.45, 6.66, 6.88, 6.97, 7.08, 7.35 and 7.44.The results of isomer 2 to isomer 8 were extrapolated. The main component (isomer 5) has an estimated log Pow of 7.08.
The retention times of these eight isomers of the test item Isodecyl methacrylate were between 5.9 and 9.8 minutes. These retention times correspond to partition coefficients (n-octanol/water) between log Pow = 6.45 and 7.44.
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:
- partition coefficient
- 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:
- Method: (calculated) Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10 (KOWIN version 1.68).
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.2
- Remarks on result:
- other: Calculation with the EPIWIN model (Log Kow(version 1.68).
- Conclusions:
- Using a valid estimation model the calculated partition coefficient was log Pow: 6.2 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version
1.68). - Executive summary:
Using a valid estimation model the calculated partition coefficient was log Pow: 6.2 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version 1.68).
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:
- partition coefficient
- 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:
- Method: (calculated) Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: Calculation using EpiWin version 4.10 (KOWIN version 1.68).
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.1
- Remarks on result:
- other: Calculation with the EPIWIN model (Log Kow(version 1.68).
- Conclusions:
- Using a valid estimation model the calculated partition coefficient was log Pow: 6.1 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version
1.68). - Executive summary:
Using a valid estimation model the calculated partition coefficient was log Pow: 6.1 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version 1.68).
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:
- partition coefficient
- 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:
- Method: (calculated) Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.68
- Temp.:
- 20 °C
- Remarks on result:
- other: calculated with Kow win v.1.67
- Conclusions:
- As the testing of the log Pow was technically not feasable, the value was calculated with the accepted calculation programme KOWWIN 1.67. Log Pow = 6.68
- Executive summary:
As the testing of the log Pow was technically not feasable, the value was calculated with the accepted calculation programme KOWWIN 1.67. Log Pow = 6.68
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:
- partition coefficient
- 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:
- Method: (calculated) Calculation using EpiWin version 4.10.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 7.66
- Temp.:
- 20 °C
- Remarks on result:
- other: calculated with Kow win v.1.68
- Conclusions:
- As the testing of the log Pow was technically not feasable, the value was calculated with the accepted calculation programme KOWWIN 1.68. Log Pow = 7.66
- Executive summary:
Using this valid estimation model the calculated partition coefficient was log Pow: 7.66 (calculated by EPIWIN (version 4.10) KOWWIN submodel (version 1.68).
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
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
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
SMILES : O=C(OCCCCCCCCCC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, decyl ester
MOL FOR: C14 H26 O2
MOL WT : 226.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
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) : ------
KOWWIN Program (v1.68) Results:
===============================
Log Kow(version 1.68 estimate): 5.70
SMILES : O=C(OCCCCCCCCCC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, decyl ester
MOL FOR: C14 H26 O2
MOL WT : 226.36
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 2 | -CH3 [aliphatic carbon] | 0.5473 | 1.0946
Frag | 9 | -CH2- [aliphatic carbon] | 0.4911 | 4.4199
Frag | 1 | =CH2 [olefinic carbon] | 0.5184 | 0.5184
Frag | 1 | =CH- or =C< [olefinc carbon] | 0.3836 | 0.3836
Frag | 1 | -C(=O)O [ester, aliphatic attach] |-0.9505 | -0.9505
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 5.6950
Temperature [°C]
Mean |
22.3 |
Min |
22.2 |
Max |
22.7 |
Dead Time
Serial no. |
To [min] |
1 |
0.447 |
2 |
0.447 |
3 |
0.448 |
Mean |
0.447 |
Calibration Data of the Reference Items
Reference item |
tR [min] |
tRMean [min] |
k |
Log k |
Log Pow |
2-Butanone |
0.595 0.594 |
0.595 |
0.329 |
-0.483 |
0.30 |
Acetanilide |
0.760 0.760 |
0.760 |
0.699 |
-0.156 |
1.00 |
Anisole |
1.144 1.145 |
1.145 |
1.558 |
0.193 |
2.10 |
Benzophenone |
1.351 1.353 |
1.352 |
2.022 |
0.306 |
3.20 |
Naphthalene |
1.688 1.688 |
1.688 |
2.773 |
0.443 |
3.60 |
Biphenyl |
2.000 2.000 |
2.000 |
3.471 |
0.540 |
4.00 |
DDT |
4.901 4.905 |
4.903 |
9.961 |
0.998 |
6.50 |
tR :Retention time
k : Capacity factor reference item
Pow : Partition Coefficient (n-octanol / water) acc. guideline
Isodecyl methacrylate |
||||||
|
tR [min] |
k |
Log k |
Log Pow |
delta log Pow |
Peak Area [%] |
Isomer 1 |
5.891 5.907 |
12.169 12.205 |
1.085 1.087 |
6.44 6.45 |
0.01 |
1.61 1.44 |
Mean |
|
6.45 |
|
1.52 |
||
Isomer 2 |
6.569 6.574 |
13.685 13.696 |
1.136 1.137 |
6.66 6.66 |
0.00 |
0.75 0.80 |
Mean |
|
6.66 |
|
0.78 |
||
Isomer 3 |
7.338 7.341 |
15.404 15.411 |
1.188 1.188 |
6.88 6.88 |
0.00 |
7.63 7.54 |
Mean |
|
6.88 |
|
7.59 |
||
Isomer 4 |
7.676 7.678 |
16.159 16.164 |
1.208 1.209 |
6.96 6.97 |
0.01 |
23.6 23.2 |
Mean |
|
6.97 |
|
23.4 |
||
Isomer 5 |
8.168 8.167 |
17.259 17.257 |
1.237 1.237 |
7.08 7.08 |
0.01 |
42.0 41.4 |
Mean |
|
7.08 |
|
41.7 |
||
Isomer 6 |
8.440 8.449 |
17.867 17.887 |
1.252 1.253 |
7.15 7.15 |
0.00 |
11.2 11.1 |
Mean |
|
7.15 |
|
11.2 |
||
Isomer 7 |
9.324 9.348 |
19.844 19.897 |
1.298 1.299 |
7.34 7.35 |
0.01 |
11.7 12.1 |
Mean |
|
7.35 |
|
11.9 |
||
Isomer 8 |
9.806 9.834 |
20.921 20.984 |
1.321 1.322 |
7.44 7.44 |
0.00 |
1.43 2.27 |
Mean |
|
7.44 |
|
1.85 |
||
tR :Retention time
k : Capacity factor reference item
Pow : Partition Coefficient (n-octanol / water) acc. guideline
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
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
CAS Number: 2549-53-3
SMILES : O=C(OCCCCCCCCCCCCCC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, tetradecyl ester
MOL FOR: C18 H34 O2
MOL WT : 282.47
------------------------------ 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) : ------
KOWWIN Program (v1.68)
Results: Log Kow(version 1.68 estimate): 7.66
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE -------+-----+--------------------------------------------+---------+--------
Frag | 2 | -CH3 [aliphatic carbon] | 0.5473 | 1.0946
Frag | 13 | -CH2- [aliphatic carbon] | 0.4911 | 6.3843
Frag | 1 | =CH2 [olefinic carbon] | 0.5184 | 0.5184
Frag | 1 | =CH- or =C< [olefinc carbon] | 0.3836 | 0.3836
Frag | 1 | -C(=O)O [ester, aliphatic attach] |-0.9505 | -0.9505
Const | | Equation Constant | | 0.2290
-------+-----+----------------------------------------------+---------+--------
Log Kow = 7.6594
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: log Pow: 5.24 at 20 °C experimental data (Jones O (2002))
2 -Ethylhexyl methacrylate: log Pow: 4.95 at 20 °C experimental data (Jones O (2002))
n-Nonyl methacrylate: log Pow: 5.2 at 25 °C calculated with EPWin v. 4.1 KOWIN version 1.68 (Evonik (2018))
i-Nonyl methacrylate: log Pow: 5.1 at 25 °C calculated with EPWin v. 4.1 KOWIN version 1.68 (Evonik (2018))
n-Decyl methacrylate: log Pow: 5.7 at 25 °C calculated with EPWin v. 4.1 KOWIN version 1.68 (Evonik (2018))
i-Decyl methacrylate: log Pow: 6.45 - 7.44 at 22 °C experimental data (Bodsch J (2010))
n-Undecyl methacrylate: log Pow: 6.2 at 25 °C calculated with EPWin v. 4.1 KOWIN version 1.68 (Evonik (2018))
i-Undecyl methacrylate: log Pow: 6.1 at 25 °C calculated with EPWin v. 4.1 KOWIN version 1.68 (Evonik (2018))
n-Lauryl methacrylate: log Pow: 6.68 at 25 °C calculated with EPWin v. 4.1 KOWIN version 1.68 (Evonik (2018))
n-Tetradecyl methacrylate: log Pow: 7.66 at 25 °C calculated with EPWin v. 4.1 KOWIN version 1.68 (Evonik (2018))
Overall, the physicochemical properties of the constituents of NUMA are showing a regular pattern. The partition coefficient, which is above 4.0 for all constituents, has a slightly increasing tendency.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7.66
- at the temperature of:
- 20 °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 partition coefficient, which is above 4.0 for all constituents, has a slightly increasing tendency.
For NUMA UVCB substance the partition coefficient 7.66 at 20 °C is assumed as worst case assumption for chemical safety assessment.
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