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EC number: 283-907-6 | CAS number: 84775-78-0 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Ascophyllum nodosum, Fucaceae.
Solubility in organic solvents / fat solubility
Administrative data
- Endpoint:
- solubility in organic solvents / fat solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 18-Oct-2010 to 22-Oct-2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: This study has been performed according to OJEC and CIPAC guidelines and according to GLP principles.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- other: CIPAC MT 181
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: OJEC A.6
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- Ascophyllum nodosum, ext.
- EC Number:
- 283-907-6
- EC Name:
- Ascophyllum nodosum, ext.
- Cas Number:
- 84775-78-0
- Molecular formula:
- Not applicable; a generic molecular formula cannot be provided for this UVCB substance.
- IUPAC Name:
- Ascophillum nodosum, extract
- Details on test material:
- Test item identification : Algea Fert Solid K+
Empirical formula : not available
Structural formula : not available
Molecular weight : Not available
Batch number : 00680
ChemService number : 2901493-001
Manufacturing date : March 09, 2010
Expiry date : March 09, 2012
Constituent 1
Results and discussion
Solubility in organic solvents / fat solubilityopen allclose all
- Medium:
- methanol
- Solubility:
- 250.6 mg/L
- Temp.:
- 22 °C
- Remarks on result:
- other: with analytical determination with OJEC A.6 method
- Medium:
- other: dichloromethane
- Solubility:
- 9.9 mg/L
- Temp.:
- 22 °C
- Remarks on result:
- other: with analytical determination with OJEC A.6 method
- Medium:
- other: n-hexane
- Solubility:
- < 1 mg/L
- Temp.:
- 22 °C
- Remarks on result:
- other: with analytical determination with OJEC A.6 method
- Medium:
- other: p-xilene
- Solubility:
- 1.4 mg/L
- Temp.:
- 22 °C
- Remarks on result:
- other: with analytical determination with OJEC A.6 method
- Medium:
- acetone
- Solubility:
- 7 mg/L
- Temp.:
- 22 °C
- Remarks on result:
- other: with analytical determination with OJEC A.6 method
- Medium:
- ethyl acetate
- Solubility:
- 9 mg/L
- Temp.:
- 22 °C
- Remarks on result:
- other: with analytical determination with OJEC A.6 method
- Test substance stable:
- yes
Any other information on results incl. tables
Method CIPAC MT 181
No solubility data were found in literature.
Since in the preliminary test, a test item solubility in every solvent tested lower than 10 g/L was estimated, an analytical determination was performed using the shake flask method described in OJEC Method A.6, with the aim to obtain a more accurate value.
Shake flask method (OJEC A.6)
The results of the solvent solubility test are reported in Tables from 4 to 11.
The quality criteria of the Method A.6 were verified (RSD% over three values is < 15%).
Representative spectra are presented in Figures from 1 to 6.
TABLE 1 Linear calibration for Methanol
Algea Fert Solid K+ |
WSS 1 1.05mg/mL (peak area) |
WSS 2 10.52mg/mL (peak area) |
WSS 3 105.20mg/mL (peak area) |
1st series 275 nm |
0.0122 |
0.1014 |
0.8653 |
2nd series 275 nm |
0.0135 |
0.1017 |
0.8478 |
Mean |
0.0129 |
0.1016 |
0.8565 |
Delta |
0.0013 |
0.0004 |
0.0175 |
Delta % |
10.00% |
0.35% |
2.05% |
y = mx + q |
Parameterm (slope) |
Parameterq (intercept) |
ParameterR (correlation) |
0.0080 |
0.0104 |
0.99991 |
TABLE 2 Results obtained for Methanol solubility
ChemService code |
As – Ab 275 nm |
Cs (1) (mg/mL) |
Ve x Ds (mL) |
Vs (mL) |
Solubility (mg/mL) |
Solubility Mean (mg/L) |
Control |
0.0000 |
- |
- |
- |
- |
- |
2901493-001 MeOH A1 |
0.5158 |
62.80 |
4.00 |
1.00 |
251.18 |
251.07 |
2901493-001 MeOH A2 |
0.5153 |
62.74 |
4.00 |
1.00 |
250.95 |
|
2901493-001 MeOH B1 |
0.5150 |
62.69 |
4.00 |
1.00 |
250.76 |
250.60 |
2901493-001 MeOH B2 |
0.5143 |
62.61 |
4.00 |
1.00 |
250.43 |
|
2901493-001 MeOH C1 |
0.5135 |
62.51 |
4.00 |
1.00 |
250.05 |
250.02 |
2901493-001 MeOH C2 |
0.5134 |
62.50 |
4.00 |
1.00 |
249.99 |
|
Mean value : |
250.6 |
|||||
Standard deviation (S.D.) : |
0.49 |
|||||
Relative Standard Deviation (RSD%): |
0.19% |
|||||
(1) Quantification with the linear calibration curve.
TABLE 3 Linear calibration for Dichloromethane
Algea Fert Solid K+ |
WSS 1 1.05mg/mL (peak area) |
WSS 2 10.52mg/mL (peak area) |
WSS 3 105.20mg/mL (peak area) |
1st series 275 nm |
0.0217 |
0.0981 |
0.8635 |
2nd series 275 nm |
0.0211 |
0.0980 |
0.8654 |
Mean |
0.0214 |
0.0981 |
0.8644 |
Delta |
0.0007 |
0.0001 |
0.0019 |
Delta % |
3.22% |
0.10% |
0.22% |
y = mx + q |
Parameterm (slope) |
Parameterq (intercept) |
ParameterR (correlation) |
0.0081 |
0.0129 |
1.00000 |
TABLE 4 Results obtained for Dichloromethane solubility
ChemService code |
As – Ab 275 nm |
Cs (1) (mg/mL) |
Ve x Ds (mL) |
Vs (mL) |
Solubility (mg/mL) |
Solubility Mean (mg/L) |
Control |
-0.0001 |
- |
- |
- |
- |
- |
2901493-001 DCM A1 |
0.0952 |
10.17 |
1.00 |
1.00 |
10.17 |
10.29 |
2901493-001 DCM A2 |
0.0972 |
10.41 |
1.00 |
1.00 |
10.41 |
|
2901493-001 DCM B1 |
0.0921 |
9.79 |
1.00 |
1.00 |
9.79 |
9.69 |
2901493-001 DCM B2 |
0.0906 |
9.60 |
1.00 |
1.00 |
9.60 |
|
2901493-001 DCM C1 |
0.0875 |
9.22 |
1.00 |
1.00 |
9.22 |
9.58 |
2901493-001 DCM C2 |
0.0934 |
9.95 |
1.00 |
1.00 |
9.95 |
|
Mean value : |
9.9 |
|||||
Standard deviation (S.D.) : |
0.42 |
|||||
Relative Standard Deviation (RSD%): |
4.29% |
|||||
(1) Quantification with the linear calibration curve.
TABLE 5 Linear calibration for n-Hexane
Algea Fert Solid K+ |
WSS 1 1.05mg/mL (peak area) |
WSS 2 10.52mg/mL (peak area) |
WSS 3 105.20mg/mL (peak area) |
1st series 275 nm |
0.0256 |
0.0980 |
0.8654 |
2nd series 275 nm |
0.0217 |
0.1039 |
0.8584 |
Mean |
0.0237 |
0.1009 |
0.8619 |
Delta |
0.0038 |
0.0058 |
0.0070 |
Delta % |
16.21% |
5.79% |
0.81% |
y = mx + q |
Parameterm (slope) |
Parameterq (intercept) |
ParameterR (correlation) |
0.0080 |
0.0157 |
1.00000 |
TABLE 6 Results obtained for n-Hexane solubility
ChemService code |
As – Ab 275 nm |
Cs (1) (mg/mL) |
Ve x Ds (mL) |
Vs (mL) |
Solubility (mg/mL) |
Solubility Mean (mg/L) |
Control |
0.0004 |
- |
- |
- |
- |
- |
2901493-001 n-Hexane A1 |
0.0068 |
0.30 |
1.00 |
1.00 |
0.30 |
0.26 |
2901493-001 n-Hexane A2 |
0.0047 |
0.21 |
1.00 |
1.00 |
0.21 |
|
2901493-001 n-Hexane B1 |
0.0036 |
0.16 |
1.00 |
1.00 |
0.16 |
0.15 |
2901493-001 n-Hexane B2 |
0.0033 |
0.15 |
1.00 |
1.00 |
0.15 |
|
2901493-001 n-Hexane C1 |
0.0024 |
0.11 |
1.00 |
1.00 |
0.11 |
0.10 |
2901493-001 n-Hexane C2 |
0.0022 |
0.10 |
1.00 |
1.00 |
0.10 |
|
Mean value : |
0.2 |
|||||
Standard deviation (S.D.) : |
- |
|||||
Relative Standard Deviation (RSD%): |
- |
|||||
(1) Quantification with the lowest standard calibration curve (WSS 1).
TABLE 7 Linear calibration for p-Xylene
Algea Fert Solid K+ |
WSS 1 1.05mg/mL (peak area) |
WSS 2 10.52mg/mL (peak area) |
WSS 3 105.20mg/mL (peak area) |
1st series 300 nm |
0.0149 |
0.0839 |
0.6927 |
2nd series 300 nm |
0.0171 |
0.0833 |
0.6972 |
Mean |
0.0160 |
0.0836 |
0.6949 |
Delta |
0.0021 |
0.0006 |
0.0046 |
Delta % |
13.29% |
0.67% |
0.66% |
y = mx + q |
Parameterm (slope) |
Parameterq (intercept) |
ParameterR (correlation) |
0.0065 |
0.0121 |
0.99997 |
TABLE 8 Results obtained for p-Xylene solubility
ChemService code |
As – Ab 300 nm |
Cs (1) (mg/mL) |
Ve x Ds (mL) |
Vs (mL) |
Solubility (mg/mL) |
Solubility Mean (mg/L) |
Control |
-0.0003 |
- |
- |
- |
- |
- |
2901493-001 p-Xylene A1 |
0.0226 |
1.49 |
1.00 |
1.00 |
1.49 |
1.46 |
2901493-001 p-Xylene A2 |
0.0219 |
1.44 |
1.00 |
1.00 |
1.44 |
|
2901493-001 p-Xylene B1 |
0.0219 |
1.44 |
1.00 |
1.00 |
1.44 |
1.42 |
2901493-001 p-Xylene B2 |
0.0214 |
1.41 |
1.00 |
1.00 |
1.41 |
|
2901493-001 p-Xylene C1 |
0.0218 |
1.43 |
1.00 |
1.00 |
1.43 |
1.44 |
2901493-001 p-Xylene C2 |
0.0219 |
1.44 |
1.00 |
1.00 |
1.44 |
|
Mean value : |
1.4 |
|||||
Standard deviation (S.D.) : |
0.03 |
|||||
Relative Standard Deviation (RSD%): |
1.78% |
|||||
(1) Quantification with the lowest standard calibration curve (WSS 1).
TABLE 9 Linear calibration for Acetone
Algea Fert Solid K+ |
WSS 1 1.05mg/mL (peak area) |
WSS 2 10.52mg/mL (peak area) |
WSS 3 105.20mg/mL (peak area) |
1st series 330 nm |
0.0134 |
0.0594 |
0.5180 |
2nd series 330 nm |
0.0125 |
0.0611 |
0.5153 |
Mean |
0.0129 |
0.0603 |
0.5167 |
Delta |
0.0009 |
0.0017 |
0.0027 |
Delta % |
7.02% |
2.82% |
0.53% |
y = mx + q |
Parameterm (slope) |
Parameterq (intercept) |
ParameterR (correlation) |
0.0048 |
0.0086 |
1.00000 |
TABLE 10 Results obtained for Acetone solubility
ChemService code |
As – Ab 330 nm |
Cs (1) (mg/mL) |
Ve x Ds (mL) |
Vs (mL) |
Solubility (mg/mL) |
Solubility Mean (mg/L) |
Control |
0.0011 |
- |
- |
- |
- |
- |
2901493-001 Acetone A1 |
0.0432 |
7.16 |
1.00 |
1.00 |
7.16 |
7.21 |
2901493-001 Acetone A2 |
0.0436 |
7.25 |
1.00 |
1.00 |
7.25 |
|
2901493-001 Acetone B1 |
0.0428 |
7.09 |
1.00 |
1.00 |
7.09 |
7.02 |
2901493-001 Acetone B2 |
0.0422 |
6.96 |
1.00 |
1.00 |
6.96 |
|
2901493-001 Acetone C1 |
0.0411 |
6.73 |
1.00 |
1.00 |
6.73 |
6.70 |
2901493-001 Acetone C2 |
0.0409 |
6.68 |
1.00 |
1.00 |
6.68 |
|
Mean value : |
7.0 |
|||||
Standard deviation (S.D.) : |
0.23 |
|||||
Relative Standard Deviation (RSD%): |
3.36% |
|||||
(1) Quantification with the linear calibration curve.
TABLE 11 Linear calibration for Ethyl Acetate
Algea Fert Solid K+ |
WSS 1 1.05mg/mL (peak area) |
WSS 2 10.52mg/mL (peak area) |
WSS 3 105.20mg/mL (peak area) |
1st series 275 nm |
0.0175 |
0.1009 |
0.8602 |
2nd series 275 nm |
0.0176 |
0.0907 |
0.8587 |
Mean |
0.0175 |
0.0958 |
0.8595 |
Delta |
0.0001 |
0.0102 |
0.0016 |
Delta % |
0.35% |
10.67% |
0.18% |
y = mx + q |
Parameterm (slope) |
Parameterq (intercept) |
ParameterR (correlation) |
0.0081 |
0.0099 |
1.00000 |
TABLE 12 Results obtained for Ethyl Acetate solubility
ChemService code |
As – Ab 275 nm |
Cs (1) (mg/mL) |
Ve x Ds (mL) |
Vs (mL) |
Solubility (mg/mL) |
Solubility Mean (mg/L) |
Control |
0.0002 |
- |
- |
- |
- |
- |
2901493-001 AcOEt A1 |
0.0884 |
9.72 |
1.00 |
1.00 |
9.72 |
9.63 |
2901493-001 AcOEt A2 |
0.0870 |
9.55 |
1.00 |
1.00 |
9.55 |
|
2901493-001 AcOEt B1 |
0.0853 |
9.34 |
1.00 |
1.00 |
9.34 |
9.26 |
2901493-001 AcOEt B2 |
0.0841 |
9.18 |
1.00 |
1.00 |
9.18 |
|
2901493-001 AcOEt C1 |
0.0813 |
8.84 |
1.00 |
1.00 |
8.84 |
8.07 |
2901493-001 AcOEt C2 |
0.0689 |
7.30 |
1.00 |
1.00 |
7.30 |
|
Mean value : |
9.0 |
|||||
Standard deviation (S.D.) : |
0.88 |
|||||
Relative Standard Deviation (RSD%): |
9.78% |
|||||
Applicant's summary and conclusion
- Conclusions:
- From the experimental data obtained according to CIPAC method MT 181 and to guideline A.6 in Official Journal L 383 Part A, it can be concluded that the solubility of the analyzed Algea Fert Solid K+ sample in six organic solvents at room temperature is the following:
Solubility in Methanol : 250.6 mg/L
Solubility in Dichloromethane : 9.9 mg/L
Solubility in n-Hexane : <1 mg/L
Solubility in p-Xylene : 1.4 mg/L
Solubility in Acetone : 7.0 mg/L
Solubility in Ethyl Acetate : 9.0 mg/L
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