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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:
08 May-04 June 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
no
Type of method:
column elution method
Water solubility:
0.4 mg/L
Temp.:
20 °C
pH:
6.8 - 7.6

Instrument settings:

Instrument settings

 

Injection mode

Split

Column

DB-5MSUI, 0.25 mm inner diameter, 0.25 µm film, 15 m length

Eluent A

Water/Methanol (1/1 V/V) + 0.1% Formic acid

Eluent B

Methanol/THF (8/2 V/V) + 0.1% Formic acid

Temperature

50 °C for one 1 min, then at 12 °C/min to 300 °C for 5 minutes

Carrier gas

Helium

Retention times

Methyl pentadecanoate (internal standard) 13.3 min

Test substance 12.2 min

Scanrange

50-400 m/z

Injection volume

1 μL

Sample evaluation

m/z 226 Methyl pentadecanoate

m/z 112 Test substance

Quantitative determination of the analyte:

Flow rate (mL/h)

Fraction No.

Water solubility of PRIFER 6813, mg/L

pH value

25.0

1 (1-2)

0.1

7.6

 

2 (3-4)

0.2

7.4

 

3 (5-6)

0.2

7.4

 

4 (7-8)

0.3

7.4

 

5 (9-10)

0.4

7.5

 

6 (11-12)

0.4

7.5

 

7 (13-14)

0.3

7.4

 

8 (15-16)

0.3

7.3

 

 

 

 

12.5

1 (1-2)

0.5

7.2

 

2 (3-4)

0.5

6.8

 

3 (5-6)

0.5

7.1

 

4 (7-8)

0.4

7.5

 

5 (9-10)

0.4

7.6

 

6 (11-12)

0.4

7.5

 

7 (13-14)

0.5

7.5

   8 (15 -16)  0.5  7.2

pH value HPLC water: 6.7

The calibration curve fits over the whole working range from 0.06 to 3.89 mg/L with r²=0.9999. A linear fit was used.

Description of key information

0.4 mg/L at 20 °C, pH: 6.8-7.6 (EU Method A.6, column elution method)

Key value for chemical safety assessment

Water solubility:
0.4 mg/L
at the temperature of:
20 °C

Additional information