Registration Dossier
Registration Dossier
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EC number: 921-820-3 | CAS number: -
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: no study was performed,, the result is only based on an estimation by QSAR episuite and the trend analysis of the category
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR 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:
- QSAR episuite (based on structure activity)
- GLP compliance:
- no
- Type of method:
- other: QSAR episuite
Test material
- Reference substance name:
- Distilled acetalization product between glucose and C12-14-18-20-22 alcohol
- IUPAC Name:
- Distilled acetalization product between glucose and C12-14-18-20-22 alcohol
- Details on test material:
- not applicable
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- < 1 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: the result is only based on QSAR estimation and read across trough category analysis, so no pH was reported
- Details on results:
- the mains components have water solubility strictly below 1 mg/L. Following knowledge about the category settled, we estimate the global water solubility as below 1 mg/L
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
the mains components have a water solubility strictly below 1 mg/L. Following knowledge about the category settled, we estimate the global water solubility as below 1 mg/L - Executive summary:
Chemical Name
structure
Smile structure
%
Result on Water solubility
C12alkyl-mono-glucoside
C1(OCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O1
17.4
21.19 mg/L
C14alkyl-mono-glucoside
C1(OCCCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O
2.074 mg/L
C18alkyl-mono-glucoside
C1(OCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O1
0.01954 mg/L
C20 alkyl-mono-glucoside
C1(OCCCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O1
0.001885 mg/l
C22 alkyl-mono-glucoside
C1(OCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O1
0.0001811 mg/L
C12 alkyl-di-glucoside
C1(OCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1
2.2
276 mg/L
C14 alkyl-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
C18 alkyl-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
C20 alkyl-di-glucoside
C1(OCCCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1
0.0226 mg/L
C22 alkyl-di-glucoside
C1(OCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1
0.00214 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
0.4
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
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
C20 alkyl-tri-glucoside
C1(OCCCCCCCCCCCCCCCCCCCC)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
0.253 mg/L
C22 alkyl-tri-glucoside
C1(OCCCCCCCCCCCCCCCCCCCCCC)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
0.0238 mg/L
octadecanol
C(O)CCCCCCCCCCCCCCCCC
2.1
0.0151 mg/L
tetradecanol
C(O)(CCCCCCCCCC)CCC
7.5
1.69 mg/L
icosanol
C(O)CCCCCCCCCCCCCCCCCCC
44.5
0.00151 mg/L
docosanol
C(O)CCCCCCCCCCCCCCCCCCCCC
24.5
0.00015 mg/L
CCL: the mains components have water solubility strictly below 1 mg/L. Following knowledge about the category settled, we estimate the global water solubility as below 1 mg/L
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