Registration Dossier
Registration Dossier
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EC number: 283-892-6 | CAS number: 84775-63-3 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Indigofera tinctoria, Leguminosae.
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: Calculated from laboratory results with info about water- and fat solubility
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - Principle of test:
Gas chromatography and mass spectrometry methods to determine content of Monosaccarides,
- Short description of test conditions:
Standard laboratory methods for extraction. Hydrolysis, Sample pre-treatment, Derivatization with heating and stirring.
the study does not need to be conducted because the substance is uvcb - GLP compliance:
- not specified
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Indigofera tinctoria, ext.
- EC Number:
- 283-892-6
- EC Name:
- Indigofera tinctoria, ext.
- Cas Number:
- 84775-63-3
- Molecular formula:
- n/a
- IUPAC Name:
- Indigofera tinctoria, ext.
- Test material form:
- solid: particulate/powder
- Details on test material:
- Batch number: OIG/17//I/1
Constituent 1
- Specific details on test material used for the study:
- Indigofera tinctoria leaf powder (Indigo), CAS: 84775-63-3, UVCB substance
Study design
- Analytical method:
- gas chromatography
- mass spectrometry
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- ca. -0.37
- Remarks on result:
- other: calculated experimental log p
- Details on results:
- 6 % of Indigofera tinctoria leaf powder contained compounds that were water and fat soluble, the partition coefficient is calculated from this fraction. 94% of Indigofera tinctoria leaf powder remained insoluble.
Applicant's summary and conclusion
- Conclusions:
- Indigo powder contains 1,7 % monosaccharides with average estimated LogP of -2,544
Indigo powder contains 0,73 % substances with average estimated LogP of 2,9942
log P exp indigo powder = log 0,73/1,7= -0,37 - Executive summary:
Carbohydrate extracted from Indigo powder Carbohydrate Amount
mg/g% Est.
logPOWArabinose 1,5 0,15 -3,02 Xylose 0,93 0,09 -2,3 Mannose 0,63 0,06 -2,6 Galactose 2 0,2 -2,4 Glucose 12 1,2 -2,4 17,06 1,7 -2,544 Volatile extractables in pentane of Indigo powder, mg/kg Name Amount
mg/kg% Est.
log pow2,2-dimethylbutane 74,1 0,007 3,51 1-pentene 894 0,089 2,82 3-methylpentane 91,7 0,009 3,2 2-methylbutanal 3266 0,327 1,231 2-butenal 35,7 0,004 0,51 methylcyclopentene 70,4 0,007 1,8 2.2-dimethoxypropane 211 0,021 0,6 cyclohexane 197 0,02 3,4 2-pentanol 58,2 0,006 1,18 2.2.3.3-tetramethylbutane 276 0,028 3,7 methylcyclohexane 47,8 0,005 3,6 toluene 202 0,02 2,73 hexanal 53,7 0,005 1,78 ethanedioic acid, dimethyl ester 41 0,004 -0,668 MEK 45,9 0,005 0,29 3,3-dimethoxy-2-butanone 77 0,008 0,31 1-butanamine, N,N-dimethyl- 36,7 0,004 1,7 2-heptenal 42 0,004 2,09 2,4-heptadienal 58,3 0,006 1,37 decane 37 0,004 5,802 1H-pyrrole-2,5-dione, 3-ethyl-4-methyl- 201 0,02 1,05 1H-pyrrole-2,5-dione, 3-ethenyl-4-methyl- 90,5 0,009 0,5 2-decenal 37,8 0,004 3,88 hexadecane 53,5 0,005 8,859 dihydroactinidiolide, cas: 015356-74-8 101 0,01 2,57 1-bromo-11-iodoundecane 49,2 0,005 6,14 6,10,14-trimethyl-2-pentadecanone 136 0,014 6,9 neophytadiene 485 0,049 8,12 phytol 200 0,02 8,2 hexanedioic acid methyl ester 67,1 0,007 1,4 1-hexacosene 90,4 0,009 14,4 7327 0,735 3,3217419 Indigo powder contains 1,7 % monosaccharides with average estimated LogP of -2,544 Indigo powder contains 0,73 % substances with average estimated LogP of 2,9942 log P exp indigo powder = log 0,73/1,7= -0,37
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