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EC number: 483-990-0 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: JChem calculation and multi-constituent substance.
- Justification for type of information:
- Discussed in the document attached
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
Materials and methods
Test guideline
- Version / remarks:
- Atomic logP increments / Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R. and Robins, R. K., J.Chem
.Inf.Comput.Sci., 1989, 29, 3, 163-172.
- Principles of method if other than guideline:
- Atomic logP increments / Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R. and Robins, R. K., J.Chem
.Inf.Comput.Sci., 1989, 29, 3, 163-172. - GLP compliance:
- no
- Type of method:
- other: Kow by Jchem calculation
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- D-xylofuranose oligomeric dodecyl glycosides (degree of polymerisation = 1)
- Molecular formula:
- C15H30O5
- IUPAC Name:
- D-xylofuranose oligomeric dodecyl glycosides (degree of polymerisation = 1)
- Reference substance name:
- D-xylofuranose oligomeric dodecyl glycosides, degree of polymerisation 2
- Molecular formula:
- C20H38O9
- IUPAC Name:
- D-xylofuranose oligomeric dodecyl glycosides, degree of polymerisation 2
- Reference substance name:
- D-xylofuranose oligomeric tetradecyl glycosides (degree of polymerisation = 1)
- Molecular formula:
- C17H34O5
- IUPAC Name:
- D-xylofuranose oligomeric tetradecyl glycosides (degree of polymerisation = 1)
- Reference substance name:
- D-xylofuranose oligomeric tetradecyl glycosides, degree of polymerisation 2
- Molecular formula:
- C20H38O9
- IUPAC Name:
- D-xylofuranose oligomeric tetradecyl glycosides, degree of polymerisation 2
- Reference substance name:
- D-glucopyranose oligomeric dodecyl glycosides, degree of polymerisation 1
- Molecular formula:
- C15H30O5
- IUPAC Name:
- D-glucopyranose oligomeric dodecyl glycosides, degree of polymerisation 1
- Reference substance name:
- D-glucopyranose oligomeric dodecyl glycosides, degree of polymerisation 2
- Molecular formula:
- C20H39O9
- IUPAC Name:
- D-glucopyranose oligomeric dodecyl glycosides, degree of polymerisation 2
- Reference substance name:
- D-glucopyranose oligomeric tetradecyl glycosides, degree of polymerisation 1
- Molecular formula:
- C15H30O5
- IUPAC Name:
- D-glucopyranose oligomeric tetradecyl glycosides, degree of polymerisation 1
- Reference substance name:
- D-glucopyranose oligomeric tetradecyl glycosides, degree of polymerisation 2
- Molecular formula:
- C20H38O9
- IUPAC Name:
- D-glucopyranose oligomeric tetradecyl glycosides, degree of polymerisation 2
- Reference substance name:
- Glucose
- EC Number:
- 200-075-1
- EC Name:
- Glucose
- Cas Number:
- 50-99-7
- Molecular formula:
- C6H12O6
- IUPAC Name:
- D-glucose
- Reference substance name:
- Xylose
- EC Number:
- 200-400-7
- EC Name:
- Xylose
- Cas Number:
- 58-86-6
- Molecular formula:
- C5H10O5
- IUPAC Name:
- Oxane-2,3,4,5-tetrol (D)
- Reference substance name:
- Tetradecanol
- EC Number:
- 204-000-3
- EC Name:
- Tetradecanol
- Cas Number:
- 112-72-1
- Molecular formula:
- C14H30O
- IUPAC Name:
- Tetradecan-1-ol
- Reference substance name:
- Dodecan-1-ol
- EC Number:
- 203-982-0
- EC Name:
- Dodecan-1-ol
- Cas Number:
- 112-53-8
- Molecular formula:
- C12H26O
- IUPAC Name:
- Dodecan-1-ol
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
Constituent 6
Constituent 7
Constituent 8
Constituent 9
Constituent 10
Constituent 11
Constituent 12
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- >= 0.73 - <= 2.11
- Temp.:
- 25 °C
- pH:
- 7
Applicant's summary and conclusion
- Conclusions:
- Using a frament calculation method and a trend within the Appyclean category, the Log Kow can be estimated 1.92.
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