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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:
2018.10.31 - 2018.12.05
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
27 July 1995
Deviations:
no
GLP compliance:
no
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Type of method:
flask method
Key result
Water solubility:
>= 429 - <= 464 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
1 000 000 mg/L
Incubation duration:
>= 2 - <= 4 d
Temp.:
20 °C
pH:
6
Details on results:
Preliminary test
An aliquot (1 g) of the sample was diluted to 1 mL of water. The mixture was shaken for 1 hr at (30 ± 0.5) ℃ and was visually checked. The approximate water solubility of 2,3-butanediol ((2R,3R)-rich) was determined to be less than 1000000 mg/L.

Water solubility test
The water solubility of the samples for 1 day, 2 days, 3 days and 4 days was 429 g/L ~ 478 g/L. The deviation of the concentrations in the 2 days, 3 days and 4 days test samples were 7.7 % (< 15 %). Therefore, the water solubility of 2,3-butanediol ((2R,3R)-rich) was calculated as the mean of 2 days, 3 days and 4 days test results.
Mean concentration : 452 g/L at 20 °C

Water solubility and the pH change of samples after testing

Time (day)

Water solubility
(mg/L)
Water solubility
(g/L) a)
pH after test b)
1 478 368 478 6
2 463 550 464 6
3 463 024 463 6
4 429 022 429 6

a) Water solubility (g/L) = (C2 /C 1) × 0.1

where, C1 = Carbon percentage in elemental analysis (%)

C2 = Measured ΔTOC (mg/L)

b) The pH of samples after testing

Elemental analysis

C (wt%): 52.34

H (wt%): 10.49

N (wt%): 0.00

Blank test in water

TOC (mg/L): 0.25

Conclusions:
The water solubility of 2,3-butanediol ((2R,3R)-rich) was determined to be 452 g/L at 20 °C after four days of testing.
Executive summary:

The flask method from OECD TEST Guidelines 105 was chosen for the water solubility test. The amount of the chemical dissolved in water was analyzed by the TOC (total organic carbon). The water solubility of 2,3 - butanediol ((2R,3R)-rich) was determined to be 452 g/L at 20 °C after four days of testing.

Description of key information

The water solubility of 2,3-butanediol ((2R,3R)-rich) was determined to be 452 g/L at 20 °C after four days of testing.

The flask method from OECD TEST Guidelines 105 was chosen for the water solubility test.

Key value for chemical safety assessment

Water solubility:
452 g/L
at the temperature of:
20 °C

Additional information