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EC number: 249-166-8 | CAS number: 28701-67-9
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study planned
- Study period:
- 30/05/2022 - 01/06/2022
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Version / remarks:
- Adopted 12 May 1981
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7370 (Dissociation constants in water)
- Version / remarks:
- August 1996
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- 3-(isodecyloxy)propylammonium acetate
- EC Number:
- 249-166-8
- EC Name:
- 3-(isodecyloxy)propylammonium acetate
- Cas Number:
- 28701-67-9
- Molecular formula:
- C13H29NO.C2H4O2
- IUPAC Name:
- 3-[(8-methylnonyl)oxy]propan-1-aminium acetate
- Test material form:
- liquid
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constantopen allclose all
- No.:
- #1
- pKa:
- 9.31
- Temp.:
- 20 °C
- No.:
- #2
- pKa:
- 4.75
- Temp.:
- 20 °C
Applicant's summary and conclusion
- Conclusions:
- The value of pKa (-log Ka) in water of the test item is 9.31 and 4.75 at 20°C. pKa 4.75 corresponds to protonation/deprotonation of acetate compound.
- Executive summary:
Dissociation constant in water of the test item, 3 -(isodecyloxy)propylammonium acetate, was determined in compliance with OECD Test Guideline No 112, Dissociation Constant in Water, Adopted 12 May 1981 and EPA OPPTS 830, 7370 - Dissociation Constants in Water. August 1996.
The value of pKa (-log Ka) in water of the test item is 9.31 and 4.75 at 20°C. pKa 4.75 corresponds to protonation/deprotonation of acetate compound.
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