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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
20/05/2017 - 08/06/2017
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:
OECD Guideline 105 (Water Solubility)
GLP compliance:
no
Type of method:
column elution method
Specific details on test material used for the study:
- Name of test material (as cited in study report): 2-phenylethyl benzoate
- Molecular formula: C15H14O2
- Molecular weight: 226.274 g/mol
- Substance type: organic
- Physical state: Liquid
- Smiles notation: c1(C(OCCc2ccccc2)=O)ccccc1
- InChl: 1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
Key result
Water solubility:
21.65 mg/L
Conc. based on:
test mat.
Temp.:
30 °C
Remarks on result:
other: other details not available

Table 2:

Sample stirring

 

Concentration obtained on

the basis of standard curve

Dilution factor

Solubility value obtained (mg/L)

24 hour

-

-

-

48 hour

7.2712

2.5

18.178

72 hour

10.0507

2.5

25.12675

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

= (18.178+25.12675)/2

= 21.6523 mg/L

Conclusions:
The water solubility determination of test chemical was done by spectrophotometric method. The water solubility was found to be 21.6523 mg/L at 30°C.
Executive summary:

The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was found to be 21.6523 mg/L at 30°C.

Description of key information

The water solubility determination of was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was found to be 21.6523 mg/L at 30°C.

Key value for chemical safety assessment

Water solubility:
21.65 mg/L
at the temperature of:
30 °C

Additional information

The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of in water was found to be 21.6523 mg/L at 30°C.

Estimated data from different modeling databases indicates the water solubility of test chemical at 25 deg C was 12 mg/l.

Based on the experimental and estimated value, the test substance was considered to be slightly soluble in water.

Other supporting study from various reliable handbooks indicates that the test chemical was observed to be insoluble in water.