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Registration Dossier
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EC number: 922-178-7 | CAS number: -
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- january 10th, 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: results based on QSAR
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: EPISUITE
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- as the UVCB is really difficult to test and is part of category , we decided to use Episuite Qsar to estimate the water solubility
- GLP compliance:
- no
- Type of method:
- other: qsar episuite
Test material
- Reference substance name:
- Distilled acetalization product between glucose and C12/18(even numbered)alcohol
- IUPAC Name:
- Distilled acetalization product between glucose and C12/18(even numbered)alcohol
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 0.015 - < 21.19 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: no pH is indicated ast the test was only based on QSAR
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
CCL: the main components are Octadecanol and the C12-18 mono glucoside, so the Water solubility is estimated at below 21.19 mg/L (between 1 mg/L and 21.19mg/L) - Executive summary:
Chemical Name
structure
Smile structure
%
Result on Water solubility
C12 alkyl-mono-glucoside
C1(OCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O1
45.5
21.19 mg/L
C14alkyl-mono-glucoside
C1(OCCCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O
2.074 mg/L
C16 alkyl-mono-glucoside
C1(OCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O1
0.2018 mg/L
C18 alkyl-mono-glucoside
C1(OCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O1
0.01954 mg/L
C12alkyl-di-glucoside
C1(OCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1
9.3
276 mg/L
C14alkyl-di-glucoside
C1(OCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1
26.35 mg/L
C16alkyl-di-glucoside
C1(OCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1
2.51 mg/L
C18alkyl-di-glucoside
C1(OCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1
0.239 mg/L
C12 alkyl-tri-glucoside
C1(OCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1
3.2
3.23E+003 mg/L
C14 alkyl-tri-glucoside
C1(OCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1
305 mg/L
C16 alkyl-tri-glucoside
C1(OCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1
28.7 mg/L
C18 alkyl-tri-glucoside
C1(OCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1
2.7 mg/L
octadecanol
C(O)CCCCCCCCCCCCCCCCC
30
0.0151 mg/L
hexadecanol
C(O)CCCCCCCCCCCCCCC
6.3
0.149 mg/L
tetradecanol
C(O)CCCCCCCCCCCCC
2.9
1.69 mg/L
the main components are Octadecanol and the C12-18 mono glucoside, so the Water solubility is estimated at below 21.19 mg/L
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