1-phenylethanol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

24-03-2018 – 30-03-2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental test result performed using standard OECD 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 1-phenylethanol (CAS No. 98-85-1) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.

GLP compliance:

not specified

Type of method:

other: spectrophotometric analytical method

Specific details on test material used for the study:

- Name of test material: 1-phenylethan-1-ol
- IUPAC name: 1-phenylethanol
- Molecular Formula: C8H10O
- Molecular weight: 122.166g/mol
- Smiles: c1(ccccc1)C(C)O
- InChI: 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
- Substance type: Organic
- Physical state: Liquid (Clear colourless)

Key result

Water solubility:

3 717.5 mg/L

Conc. based on:

test mat.

Temp.:

25 °C

Remarks on result:

other: no other details mentioned

WATER SOLUBILITY: PRELIMINARY TEST

0.1g of test item was taken in 100 ml beaker. DI water was added in increasing amount in sequence of 0.1 ml, 0.5 ml, 1.0 ml, 2.0 ml, 10.0 ml and 100.0 ml with intermediate stirring.

For soluble substances: Preliminary water solubility of test item was found 0.1g in > 100 ml DI water. For analytical determination 100 mg of test item was dissolved in 100 ml of DI water. The solution was kept for 24 hrs on stirring and absorbance was recorded. Concentration detected on the basis of standard curve was 846.64 mg/L. Five times the concentration recorded from preliminary solubility was used for confirmatory study.

WATER SOLUBILITY: CONFIRMATORY TEST

Five times the concentration recorded from preliminary solubility = 846.64 mg/L × 5 = 4233.2 mg/L was used for confirmatory study. Two separate solution of 423.32 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	18.582	200	3716.4
72 hour	18.593	200	3718.6

 

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

=(3716.4+3718.6)/2

=3717.5 mg/L

Conclusions:

The water solubility for the test item 1-phenylethanol was determine to be 3717.5 mg/L at 25°C.
From this solubility value it is concluded that chemical 1-phenylethanol is soluble in water.

Executive summary:

The water solubility determination of test item 1-phenylethanol (CAS No. 98-85-1) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of (1-phenylethanol of CAS No: 98-85-1) in water was determine to be 3717.5 mg/L at 25°C.

From this solubility value it is concluded that chemical 1-phenylethanol is soluble in water.

Description of key information

The water solubility for the test item 1-phenylethanol was determine to be 3717.5 mg/L at 25°C.

From this solubility value it is concluded that chemical 1-phenylethanol is soluble in water.

Key value for chemical safety assessment

Water solubility:

3 717.5 mg/L

at the temperature of:

25 °C

Additional information

The water solubility determination of test item 1-phenylethanol (CAS No. 98-85-1) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of (1-phenylethanol of CAS No: 98-85-1) in water was determine to be 3717.5 mg/L at 25°C.

From this solubility value it is concluded that chemical 1-phenylethanol is soluble in water.

The value of the water solubility of 1-phenylethanol was determine to be 1950 mg/L at 25 deg C & 1000 mg/L at 20 Deg C indicating that it is soluble in water.