Registration Dossier
Registration Dossier
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EC number: 223-095-2 | CAS number: 3734-33-6
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 24/10/2015 – 24/10/2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Experimental test result performed using standard OECD test guidelines
- Qualifier:
- according to guideline
- Guideline:
- other: HPLC method
- Principles of method if other than guideline:
- The water solubility determination of test substance denatonium benzoate was done as per the HPLC method
- GLP compliance:
- no
- Type of method:
- other: HPLC method
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Denatonium benzoate
- IUPAC NAme : benzyl({[(2,6-dimethylphenyl)carbamoyl]methyl})diethylazanium benzoate hydrate
- Molecular formula: C21H29N2O.C7H5O2
- Molecular weight: 446.58 g/mol
- Smiles : CC[N+](CC)(Cc1ccccc1)CC(=O)Nc2c(cccc2C)C.c1ccc(cc1)C(=O)[O-]
- InChI : 1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15- 16H2,1-4H3;1-5H,(H,8,9)
- Substance type: organic
- Physical state: Solid - Key result
- Water solubility:
- 42 555.075 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: pH details not available
- Conclusions:
- The water solubility determination of test substance denatonium benzoate was done as per the HPLC method. The solubility was determine to be 42555.075 mg/L at 25°C. Thus the chemical is considered to be very soluble.
- Executive summary:
The water solubility determination of test substance denatonium benzoate was done as per the HPLC method. The solubility was determine to be 42555.075 mg/L at 25°C. Thus the chemical is considered to be very soluble.
Reference
| Sr. no | Sample Concentration By % Area (mg/l) |
Temperature | Dilution Factor |
| 1 | 1699.773 | 250C | 25 |
| 2 | 1704.633 | 250C | 25 |
| Mean | 1702.203 | 250C | 25 |
CALCULATIONS: Water solubility was calculated using the formula:
Water Solubility(mg/l)= MeanSample concentration (mg/l)× Dilution factor
Description of key information
The water solubility determination of test substance denatonium benzoate was done as per the HPLC method. The solubility was determine to be 42555.075 mg/L at 25°C. Thus the chemical is considered to be very soluble.
Key value for chemical safety assessment
- Water solubility:
- 42 555.075 mg/L
- at the temperature of:
- 25 °C
Additional information
The water solubility determination of test substance denatonium benzoate was done as per the HPLC method. The solubility was determine to be 42555.075 mg/L at 25°C. Thus the chemical is considered to be very soluble.
From the other reliable source & authorative databases water solubility value of Denatonium benzoate is concluded to be 45000 mg/l at 20°C
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.
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