Registration Dossier
Registration Dossier
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EC number: 272-683-5 | CAS number: 68908-82-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
Test material
- Reference substance name:
- η-1H-indol-3-yl-α,α,ε-trimethyl-1H-indole-3-heptanol
- EC Number:
- 267-434-2
- EC Name:
- η-1H-indol-3-yl-α,α,ε-trimethyl-1H-indole-3-heptanol
- Cas Number:
- 67860-00-8
- Molecular formula:
- C26H32N2O
- IUPAC Name:
- 8,8-di(1H-indol-3-yl)-2,6-dimethyloctan-2-ol
- Reference substance name:
- Indole
- EC Number:
- 204-420-7
- EC Name:
- Indole
- Cas Number:
- 120-72-9
- Molecular formula:
- C8H7N
- IUPAC Name:
- 1H-indole
- Reference substance name:
- 7-hydroxycitronellal
- EC Number:
- 203-518-7
- EC Name:
- 7-hydroxycitronellal
- Cas Number:
- 107-75-5
- Molecular formula:
- C10H20O2
- IUPAC Name:
- 7-hydroxy-3,7-dimethyloctanal
- Reference substance name:
- 1-(1H-indol-1-yl)-3,7-dimethyloctane-1,7-diol
- Cas Number:
- 1642782-49-7
- Molecular formula:
- C18H27NO2
- IUPAC Name:
- 1-(1H-indol-1-yl)-3,7-dimethyloctane-1,7-diol
- Reference substance name:
- Unknown constituents
- IUPAC Name:
- Unknown constituents
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
- Specific details on test material used for the study:
- Commercial Name: Indolene
Givaudan Code No.: 1490963
Aspect: yellow to green liquid
Lot No.: VE00434647
Expiration Date: June 24, 2018
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 1.4
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 2.6
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 2.8
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 3.6
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 4.5
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 4.8
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 5.3
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 5.9
- Temp.:
- 35 °C
- pH:
- 7
- Remarks on result:
- other: indicative value, peak is outside calibration domain
- Details on results:
- Testing was performed at 35°C (column temperature), however the values can be considered to represent the values at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Kow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Applicant's summary and conclusion
- Conclusions:
- The Partition coefficient n-octanol/water of Indolene was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing Chemicals, Method No. 117.
The result is:
Partition coefficients n-octanol/water of Indolene:
LogPow = 1.4; 2.6; 2.8; 3.6; 4.4; 4.5; 4.8; 5.3 and 5.9
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