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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
11-12-2017 – 18-12-2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Principles of method if other than guideline:
The water solubility determination of test item was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.
GLP compliance:
no
Type of method:
other: by spectrophotometric analytical method
Specific details on test material used for the study:
- Name of test material: 3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol
- IUPAC name: 3-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol
- Molecular formula: C16H28O
- Molecular weight: 236.396 g/mole
- Smiles :O[C@@H]1CCC[C@@H]([C@@H]2[C@@H]3C[C@@H](C(C)(C)[C@@H]3C)C2)C1
- Inchl: 1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3
- Substance type: Organic
- Physical state: viscous liquid
Key result
Water solubility:
5.906 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: no other details mentioned

WATER SOLUBILITY: CONFIRMATORY TEST

Five times the concentration recorded from preliminary solubility = 6.125 mg/L × 5 = 30.625 mg/L was used for confirmatory study. Two separate solution of 3.0625 mg in 100 ml DI water were prepared and kept for stirring for 48 hrs and 72 hrs. After the completion of stirring period the absorbance for all the two solution were recorded and concentration was detected on the basis of standard curve. Table 2 refers to the same.

Sample stirring

Concentration obtained on

the basis of standard curve

 

Dilution factor

Solubility value obtained

(mg/L)

24 hour

-

-

-

48 hour

5.625

-

5.625

72 hour

6.1875

-

6.1875

Considering the water solubility for 48 hrs and 72 hrs the mean water solubility was calculated as follows:

Mean water solubility value for 48 hour run sample + 72 hour run sample

=(5.625 + 6.1875)/2

=5.906 mg/L

Conclusions:
The water solubility for test item was determined to be 5.906 mg/L at 25°C.
Executive summary:

The water solubility determination of test item was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 5.906 mg/L at 25°C.

Hence, the substance was considered to be slightly soluble in water.

Description of key information

The water solubility for test item was determined to be 5.906 mg/L at 25°C.

Key value for chemical safety assessment

Water solubility:
5.906 mg/L
at the temperature of:
25 °C

Additional information

The water solubility determination of test item was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 5.906 mg/L at 25°C.

Hence, the substance was considered to be slightly soluble in water.