Registration Dossier

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:
2018
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
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Details on test material:
Batch number: OIG/17//I/1
Specific details on test material used for the study:
Lawsonia inermis leaf powder (Henna), CAS: 84988-66-9, UVCB substance

Study design

Analytical method:
gas chromatography
mass spectrometry

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. -0.79
Remarks on result:
other: calculated experimental log p
Details on results:
8 % of Indigofera tinctoria leaf powder contained compounds that were water and fat soluble, the partition coefficient is calculated from this fraction. 92% of Indigofera tinctoria leaf powder remained insoluble.

Applicant's summary and conclusion

Conclusions:
Henna powder contains 5,75 % monosaccharides with average estimated LogP of -2,544
Henna powder contains 0,92 % substances with average estimated LogP of 2,9942

log P exp henna powder = log 0,92/5,75= -0,79

Executive summary:

Carbohydrate extracted from Henna powder
Carbohydrate Amount
mg/g
% Est.
logPOW
Arabinose 1,1 0,11 -3,02
Xylose 4,7 0,47 -2,3
Mannose 3,2 0,32 -2,6
Galactose 1,5 0,15 -2,4
Glucose 47 4,7 -2,4
57,5 5,75 -2,544
Volatile extractables in pentane of Henna powder, mg/kg
Name Amount
mg/kg
%  Est.
log pow
2,2-dimethylbutane  55 0,0055 3,51
2-methyl-2-propenal  33 0,0033 0,7
1-pentene  679 0,0679 2,82
butanal  20 0,002 0,9
3-methylpentane  56 0,0056 3,2
hexane  3426 0,3426 3,764
methylcyclopentene  85 0,0085 1,8
2.2-dimethoxypropane  1885 0,1885 0,6
methyl 1-methyl-2-propenyl ether  49 0,0049 1,7
cyclohexane  192 0,0192 3,4
2-pentanone  43 0,0043 0,91
2-pentanol  71 0,0071 1,18
2.2.3.3-tetramethylbutane  276 0,0276 3,7
methylcyclohexane  74 0,0074 3,6
acetic acid methyl ester  19 0,0019 0,7
toluene  260 0,026 2,73
hexanal  31 0,0031 1,78
N-methylacetamide  177 0,0177 -1,1
4-methyl-3-penten-2-one  42 0,0042 1,4
2-butanone, MEK  102 0,0102 0,29
isobutyl pentanoic acid ester  176 0,0176 2,8
2-heptenal  28 0,0028 2,09
4-ethyl-1-hexene  32 0,0032 3,7
decane  55 0,0055 5,802
4-oxo-pentanoic acid  49 0,0049 -0,5
3-metyl-3-buten-2-one  27 0,0027 0,9
2-ethyl-5-methyltiophene  35 0,0035 2,8
1H-pyrrole-2,5-dione, 3-ethyl-4-methyl-  65 0,0065 1,05
2.4-decadienal  29 0,0029 3,419
ethanone, 1-(3,4-dimethoxyphenyl)-  31 0,0031 1,901
alpha-terpinene  237 0,0237 2,8
2,6,10,14-tetramethyl hexadecane  30 0,003 9,87
dihydroactinidiolide, cas: 015356-74-8  41 0,0041 2,57
tetradecanoic acid  53 0,0053 6,1
6,10,14-trimethyl. 2-pentadecanone  80 0,008 6,9
neophytadiene  143 0,0143 8,12
neophytadiene isomer  71 0,0071 7,168
hexadecanoic acid methyl ester  423 0,0423 1,4
9-tricosene  42 0,0042 10,3
9222 0,9222 2,99420513
Henna powder contains 5,75 % monosaccharides with average estimated LogP of -2,544
Henna powder contains 0,92 % substances with average estimated LogP of 2,9942
log P exp henna powder = log 0,92/5,75= -0,79