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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 700-908-3 | CAS number: 19444-21-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 999
- Report date:
- 1999
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- prop-2-en-1-yl 2-hydroxy-2-methylpropanoate
- EC Number:
- 700-908-3
- Cas Number:
- 19444-21-4
- Molecular formula:
- C7H12O3
- IUPAC Name:
- prop-2-en-1-yl 2-hydroxy-2-methylpropanoate
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- ca. 4.4
- Temp.:
- 25 °C
- Type:
- log Pow
- Partition coefficient:
- ca. 0.64
- Temp.:
- 25 °C
Any other information on results incl. tables
Test Mixture |
P1 |
P2 |
P3 |
P4 |
P5 |
P6 |
Amount of CA2215 (mg) |
30.195 |
30.096 |
55.143 |
55.935 |
17.127 |
16.038 |
Volume of Octanol (ml) |
20.0 |
20.0 |
40.0 |
40.0 |
10.0 |
10.0 |
Volume of Water (ml) |
20.0 |
20.0 |
20.0 |
20.0 |
20.0 |
20.0 |
Concentration of CA2215in the Octanol Phase (mg/ml)
Average |
1268.071 1275.971 1345.881
1296.641 |
1275.284 1275.001 1260.985
1270.423 |
1291.496 1289.078 1315.953
1298.842 |
1296.298 1309.079 1302.961
1302.779 |
1114.299 1138.276 1110.840
1121.138 |
995.502 1015.274 1026.415
1012.397 |
Concentration of CA2215 in the Aqueous Phase (mg/ml)
Average |
305.953 307.399 303.000
305.451 |
311.572 307.996 296.062
305.210 |
303.621 299.440 300.231
301.097 |
289.350 319.061 306.423
304.945 |
241.202 240.523 242.555
241.427 |
215.117 206.468 212.780
211.455 |
pH of the aqueous phase |
5.45 |
5.22 |
5.02 |
4.96 |
5.17 |
5.33 |
Amount of CA2215 in the Octanol Phase (mg/ml) |
25.933 |
25.408 |
51.954 |
52.111 |
11.211 |
10.124 |
Amount of CA2215 in the Aqueous Phase (mg/ml) |
6.109 |
6.104 |
6.022 |
6.099 |
4.829 |
4.229 |
Total Amount of CA2215 in the two Phases (mg) |
32.042 |
31.512 |
57.976 |
58.210 |
16.040 |
14.353 |
Recovery (%) |
106 |
105 |
105 |
104 |
93.7 |
89.5 |
Pow |
4.245 |
4.162 |
4.314 |
4.272 |
4.644 |
4.788 |
Average Powfor each volume ratio |
4.204 |
4.293 |
4.717 |
|||
Average Pow±Standard Deviation |
4.4± 0.25 |
|||||
Logarithm to base 10 of Pow |
0.64 |
|||||
The result of the total average, it’s logarithm to base 10 and the standard and the standard deviation have been quoted correct to two significant figures.
Applicant's summary and conclusion
- Conclusions:
- The octanol / water partition coefficient (Pow) and it’s logarithm to base 10 (log Pow) were determined, at 25°C, to be:
Pow = 4.4 ± (0.25)
Log Pow = 0.64 - Executive summary:
This study was performed in accordance with the OECD guideline for the testing of The octanol / water partition coefficient of CA 2215 has been determined using the shake-flask method.
chemicals, number 107, July 1995, the EEC method A.8., Official Journal of the European Communities, 92/69/EEC, 1992, and the Product Properties Test Guideline, OPPTS 830.7550, USA, 1996.
The octanol / water partition coefficient (Pow) and it’s logarithm to base 10 (log Pow) were determined, at 25°C, to be:
Pow = 4.4±(0.25)
Log Pow = 0.64
The figure in parentheses represents one standard deviation about the mean value and all values have been quoted correct to two significant figures.
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.
