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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

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:
2022
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

Constituent 1
Chemical structure
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

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.