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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Dissociation constant

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Administrative data

Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3-dibutyl-2-thiourea
EC Number:
203-674-6
EC Name:
1,3-dibutyl-2-thiourea
Cas Number:
109-46-6
Molecular formula:
C9H20N2S
IUPAC Name:
1,3-dibutyl-2-thiourea

Results and discussion

Dissociation constantopen allclose all
No.:
#1
pKa:
-0.96
Remarks on result:
other: Basic pKa (Chemaxon)
No.:
#2
pKa:
16.5
Remarks on result:
other: (Q) Acidic pKa (Chemaxon)

Applicant's summary and conclusion

Conclusions:
According to the QSAR provide by the OECD toolbox, Pka of DBTU are -0.96 and 16.5. So DBTU is the only stabile product (no basic/acidic species in water solution).