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EC number: 204-559-3 | CAS number: 122-63-4
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 23.07.2012 - 07.08.2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: As mention below
- Principles of method if other than guideline:
- Measurement of capacity of a compound to dissociate into respective ions.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Benzyl propionate
- Molecular formula: C10H12O2
- Molecular weight: 164.203 g/mol
- SMILES: c1(COC(CC)=O)ccccc1
- InChI: 1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- Substance type: Organic
- Physical state: Liquid
- Batch: 2014030601 R-87
- Purity: 99.79% (GLC)
- Physical Appearance: Colourless liquid
- Stability: Stable in recommended storage conditions
- Storage Conditions: Store in cool, dry and ventilated area away from heat sources and protected from light in tightly closed original container. Keep air contact to a minimum. - Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 0
- Temp.:
- 26 °C
- No.:
- #2
- pKa:
- 0
- Temp.:
- 26 °C
- No.:
- #3
- pKa:
- 0
- Temp.:
- 26 °C
- Conclusions:
- The experimentally determined dissociation constant values (pKa) for Benzyl propionate were found to be 0.0000000011, 0.0000000015, 0.0000000012 (0.11 x 10-8, 0.15 x 10-8, 0.12 x 10-8) at 26ºC. The average pKa value is 1.27 x 10-9 at 26°C suggesting that the test substance has dissociation properties.
- Executive summary:
The experimentally determined dissociation constant values (pKa) for Benzyl propionate were found to be 0.0000000011, 0.0000000015, 0.0000000012 (0.11 x 10-8, 0.15 x 10-8, 0.12 x 10-8) at 26ºC. The average pKa value is 1.27 x 10-9 at 26°C suggesting that the test substance has dissociation properties.
Reference
Description of key information
The experimentally determined dissociation constant values (pKa) for Benzyl propionate were found to be 0.0000000011, 0.0000000015, 0.0000000012 (0.11 x 10-8, 0.15 x 10-8, 0.12 x 10-8) at 26ºC. The average pKa value is 1.27 x 10-9 at 26°C suggesting that the test substance has dissociation properties.
Key value for chemical safety assessment
- pKa at 20°C:
- 0
Additional information
The experimentally determined dissociation constant values (pKa) for Benzyl propionate were found to be 0.0000000011, 0.0000000015, 0.0000000012 (0.11 x 10-8, 0.15 x 10-8, 0.12 x 10-8) at 26ºC. The average pKa value is 1.27 x 10-9 at 26°C suggesting that the test substance has dissociation properties.
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