Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: the result is mainly based on estimation by QSAR episuite and the catagory (read across)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR episuite
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
EPISUITE EPIWEB 4.0
GLP compliance:
no
Type of method:
other: QSAR episuite

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
not applicable in case of QSAR

Results and discussion

Water solubility
Water solubility:
< 21.19 mg/L
Temp.:
25 °C
Remarks on result:
other: as the result is onlys based on QSAR , no pH has to be reported in this cas
Details on results:
Solubility is estimated to be below 21.19 mg/L (the expected water solubility is below 1mg/L)

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Solubility is expected to be below 21.19 mg/L (the expected water solubility is below 1mg/L)
Executive summary:

Chemical Name

structure

Smile structure

%

Result on Water solubility

mono-C12 alkylglucoside

C1(OCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O1

28.8%

21.19 mg/L

mono-C14 alkylglucoside

C1(OCCCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O

2.074 mg/L

mono-C16 alkylglucoside

C1(OCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O1

0.2018 mg/L

mono-C18 alkylglucoside

C1(OCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(CO)O1

0.01954 mg/L

 

di-C12 alkylpolyglucoside

C1(OCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1

7%

276 mg/L

di-C14 alkylpolyglucoside

C1(OCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1

26.35 mg/L

di-C16 alkylpolygucoside

C1(OCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1

2.51 mg/L

di-C18 alkylpolyglucoside

C1(OCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1

0.239 mg/L

tri C12 alkylpolyglucoside

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

2.4%

3.23E+003 mg/L

tri-C14 alkylpolyglucoside

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

tri-C16 alkylpolyglucoside

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

tri-C18 alkylpolyglucoside

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

hexadecanol

C(O)CCCCCCCCCCCCCCC

30.3%

0.149 mg/L

octadecanol

C(O)CCCCCCCCCCCCCCCCC

30%

0.0151 mg/L

Solubility is expected to be below 21.19 mg/L (the expected water solubility is below 1mg/L)