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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 226-109-5 | CAS number: 5281-04-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- Data is from secondary source
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Principles of method if other than guideline:
- Determination of octanol water partition coefficient of the test substance calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate. The study was performed according to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method).
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material: calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate- Common name: C. I. Pigment 57:1- Molecular formula: C18H12CaN2O6S- Molecular weight: 424.445 g/mol- Smiles notation: c12c(c(c(C(=O)[O-])cc1cccc2)O)\N=N\c1c(cc(C)cc1)S(=O)(=O)[O-].[Ca+2]- InChI: 1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+;- Substance type: Organic - Physical state: Solid
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.5
- Temp.:
- 25 °C
- pH:
- 3
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.4
- Temp.:
- 25 °C
- pH:
- 4
- Details on results:
- The logKow of test chemical calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate was determined to be ranges from 2.4 to 2.5 at pH 3 & 4 and at a temperature of 25°C.
- Conclusions:
- The partition coefficient (log Pow) value of the substance calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate was determined to be ranges from 2.4 to 2.5 at pH 3 & 4 and at a temperature of 25°C.
- Executive summary:
The partition coefficient (log Pow) value of the substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate was determined according to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) at a temperature of 25°C and pH 3 & 4, respectively. The logKow value of test chemical was determined to be ranges from 2.4 to 2.5, respectively at pH 3 & 4 and at a temperature of 25°C.
Reference
Description of key information
Based on the available data from secondary source, the partition coefficient (log Pow) value of the substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate was determined according to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) at a temperature of 25°C and pH 3 & 4, respectively. The logKow value of test chemical was determined to be ranges from 2.4 to 2.5, respectively at pH 3 & 4 and at a temperature of 25°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.4
- at the temperature of:
- 25 °C
Additional information
Based on the available data in a key study from secondary source, the partition coefficient (log Pow) value of the substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate was determined according to OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) at a temperature of 25°C and pH 3 & 4, respectively. The logKow value of test chemical was determined to be ranges from 2.4 to 2.5, respectively at pH 3 & 4 and at a temperature of 25°C.
Additional studyfrommodeling databaseindicates that the octanol waterpartition coefficient (log Pow) value of the substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate was estimated to be 3.44.
Thus, based on the available information, the logPow valueof the test substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate ranges from 2.4 to 3.44, respectively.
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.
