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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 601-017-1 | CAS number: 110964-79-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Automatically generated during migration to IUCLID 6, no data available
- IUPAC Name:
- Automatically generated during migration to IUCLID 6, no data available
- Details on test material:
- Study performed on Commercial Batch n°30014009 which relates to NMSBA crude containing 15% water but in line with substance identity as described in Section 1.2
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -0.52
- Temp.:
- 22 °C
- pH:
- 2.4 - 2.8
Any other information on results incl. tables
Results are summarized in following table:
|
pH |
Water |
Analysis of NMSBA |
NMSBA in |
Test |
Analysis of NMSBA |
NMSBA in |
Total |
Recovery |
P = |
Log P |
Average |
Water |
5,8 |
|
|
|
|
|
|
|
|
|
|
|
Flask 1 |
2,4 |
10 |
0,020344 |
0,000203 |
20 |
0,007121 |
0,000142 |
0,017293 |
97,92 |
0,3500 |
-0,456 |
-0,457 |
Flask 1 |
2,4 |
10 |
0,020484 |
0,000205 |
20 |
0,007132 |
0,000143 |
0,017374 |
98,38 |
0,3482 |
-0,458 |
|
Flask 2 |
2,4 |
10 |
0,021522 |
0,000215 |
20 |
0,006548 |
0,000131 |
0,017309 |
98,01 |
0,3042 |
-0,517 |
-0,516 |
Flask 2 |
2,4 |
10 |
0,021489 |
0,000215 |
20 |
0,006573 |
0,000131 |
0,017318 |
98,06 |
0,3059 |
-0,514 |
|
Flask 3 |
2,6 |
15 |
0,013935 |
0,000209 |
15 |
0,003264 |
0,000049 |
0,012899 |
97,39 |
0,2342 |
-0,630 |
-0,634 |
Flask 3 |
2,6 |
15 |
0,014007 |
0,000210 |
15 |
0,003221 |
0,000048 |
0,012921 |
97,55 |
0,2300 |
-0,638 |
|
Flask 4 |
2,6 |
15 |
0,013298 |
0,000199 |
15 |
0,004212 |
0,000063 |
0,013133 |
99,15 |
0,3167 |
-0,499 |
-0,501 |
Flask 4 |
2,6 |
15 |
0,013305 |
0,000200 |
15 |
0,004183 |
0,000063 |
0,013116 |
99,02 |
0,3144 |
-0,503 |
|
Flask 5 |
2,8 |
20 |
0,007747 |
0,000155 |
10 |
0,002251 |
0,000023 |
0,008873 |
100,48 |
0,2906 |
-0,537 |
-0,537 |
Flask 5 |
2,8 |
20 |
0,007721 |
0,000154 |
10 |
0,002236 |
0,000022 |
0,008839 |
100,10 |
0,2896 |
-0,538 |
|
Flask 6 |
2,8 |
20 |
0,007594 |
0,000152 |
10 |
0,002534 |
0,000025 |
0,008861 |
100,35 |
0,3337 |
-0,477 |
-0,477 |
Flask 6 |
2,8 |
20 |
0,007601 |
0,000152 |
10 |
0,002527 |
0,000025 |
0,008865 |
100,39 |
0,3325 |
-0,478 |
|
Average |
|
|
|
|
|
|
|
|
|
|
|
-0,520 |
|
|
|
|
|
|
|
|
|
|
|
|
|
Test substance |
1,055 |
g/L of NMSBA in octanol |
|
|
0,908 |
g/L of NMSBA in octanol by HPLC |
|
|
||||
|
0,0211000 |
g of NMSBA 83,7% in flasks 1 and 2 |
|
|
|
|
|
|
|
|
||
|
0,017661 |
g of NMSBA 100% in flasks 1 and 2 |
|
|
|
|
|
|
|
|
||
|
0,0158250 |
g of NMSBA 83,7% in flasks 3 and 4 |
|
|
|
|
|
|
|
|
||
|
0,013246 |
g of NMSBA 100% in flasks 3 and 4 |
|
|
|
|
|
|
|
|
||
|
0,0105500 |
g of NMSBA 83,7% in flasks 5 and 6 |
|
|
|
|
|
|
|
|
||
|
0,00883 |
g of NMSBA 100% in flasks 5 and 6 |
|
|
|
|
|
|
|
|
||
Each layer (aqueous and organic) is analysed by HPLC.
Pow = Cn-octanol / Cwater
Applicant's summary and conclusion
- Conclusions:
- Partition coefficient Octanol-Water of the substance 2-Nitro-4-(methylsulfonyl)benzoic acid has been evaluated -0.52 according to Guideline A8 (regulation n°440/2008)
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.
