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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
other: estimated from EPISUITE WSKOW (v1.42).
Adequacy of study:
key study
Study period:
2018-2019
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Cross-reference
Reason / purpose for cross-reference:
reference to other study
Remarks:
water solubility calculated from experimental value of logKow
Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017-2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study without detailed documentation
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Type of method:
flask method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
ca. 6.9
Temp.:
20 °C
pH:
ca. 7.6

Data source

Reference
Reference Type:
other: QSAR DATA
Title:
WATER SOLUBILITY KEY SALICYLATES
Author:
EPISUITE
Year:
2018
Bibliographic source:
EPISUITE WSKOW (V.1.42)
Report date:
2019

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
EPISUITE WSKOW (v1.42).
Type of method:
other: QSAR ELABORATION

Test material

Constituent 1
Reference substance name:
C10-C16-(linear and branched)-alkyl esters of salicylic acid
IUPAC Name:
C10-C16-(linear and branched)-alkyl esters of salicylic acid
Test material form:
liquid

Results and discussion

Water solubilityopen allclose all
Key result
Water solubility:
ca. 0.094 mg/L
Temp.:
25 °C
pH:
> 6 - < 8
Remarks on result:
not measured/tested
Remarks:
QSAR from Octyl Salicylate
Key result
Water solubility:
ca. 0.079 mg/L
Temp.:
25 °C
pH:
> 6 - < 8
Remarks on result:
not measured/tested
Remarks:
QSAR from Nonyl Salicylate
Key result
Water solubility:
ca. 0.065 mg/L
Temp.:
25 °C
pH:
> 6 - < 8
Remarks on result:
not measured/tested
Remarks:
QSAR from Decyl Salicylate
Key result
Water solubility:
ca. 0.065 mg/L
Temp.:
25 °C
pH:
> 6 - < 8
Remarks on result:
not measured/tested
Remarks:
QSAR from Isodecyl Salicylate
Key result
Water solubility:
ca. 0.054 mg/L
Temp.:
25 °C
pH:
> 6 - < 8
Remarks on result:
not measured/tested
Remarks:
QSAR from Undecyl Salicylate
Key result
Water solubility:
ca. 0.045 mg/L
Temp.:
25 °C
pH:
> 6 - < 8
Remarks on result:
not measured/tested
Remarks:
QSAR from Dodecyl Salicylate
Key result
Water solubility:
ca. 0.037 mg/L
Temp.:
25 °C
pH:
> 6 - < 8
Remarks on result:
not measured/tested
Remarks:
QSAR from Tridecyl Salicylate
Key result
Water solubility:
ca. 0.037 mg/L
Temp.:
25 °C
pH:
> 6 - < 8
Remarks on result:
not measured/tested
Remarks:
QSAR from Isotridecyl Salicylate
Key result
Water solubility:
ca. 0.031 mg/L
Temp.:
25 °C
pH:
> 6 - < 8
Remarks on result:
not measured/tested
Remarks:
QSAR from Tetradecyl Salicylate
Key result
Water solubility:
ca. 0.021 mg/L
Temp.:
25 °C
pH:
> 6 - < 8
Remarks on result:
not measured/tested
Remarks:
QSAR from Hexadecyl Salycilate

Applicant's summary and conclusion

Conclusions:
the water solubility range is between 0.02079 and 0.0942 mg/L.