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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
other: extrapolation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Remarks:
No data on GLP. Methodology is described in the article.
Principles of method if other than guideline:
Solubility of BHT in distilled water is determined with radioactive 14C-labeled BHT and by liquid scintillation counting measurements.
GLP compliance:
not specified
Type of method:
other: Radioactive test item and liquid scintillation counting measurements.
Key result
Water solubility:
1.5 mg/L
Conc. based on:
other: Extrapolation to time zero
Remarks:
From the observations longer than 4 hours.
Incubation duration:
> 4 h
Temp.:
30 °C
Remarks on result:
other: No data on pH

When BHT is mixed with distilled water, the specific radioactivity of the aqueous solution rises quickly for about 4 hours and then slowly increases. The initial rise is believed to be caused by the kinetics of dissolution and the later slower rise is due to the degradation reaction. Extrapolation to time zero from the observations longer than 4 hours yields an estimate of the solubility of BHT to be of the order of 1.5 mg/L at 30 ºC and 6 mg/L at 60 ºC.

Conclusions:
Extrapolation to time zero from the observations longer than 4 hours yields an estimate of the solubility of BHT to be of the order of 1.5 mg/L at 30 ºC and 6 mg/L at 60 ºC.
Executive summary:

Solubility of BHT in distilled water is determined with radioactive 14C-labeled BHT and by liquid scintillation counting measurements. When BHT is mixed with distilled water, the specific radioactivity of the aqueous solution rises quickly for about 4 housr and then slowly increases. The initial rise is believed to be caused by the kinetics of dissolution and the later slower rise is due to the degradation reaction. Extrapolation to time zero from the observations longer than 4 hours yields an estimate of the solubility of BHT to be of the order of 1.5 mg/L at 30 ºC and 6 mg/L at 60 ºC.

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Principles of method if other than guideline:
Calculation by EPI-Suite, EPA (USA) / WSKOW v1.41
GLP compliance:
no
Type of method:
other: estimated by calculation
Key result
Water solubility:
5.748 mg/L
Temp.:
25 °C
Remarks on result:
other: EPI-Suite calculation: no data provided on the pH to be included under "Results and discussions".
Conclusions:
The estimated water solubility is 5.748 mg/l at 25 ºC (EPI-Suite, WSKOW v1.41).
Executive summary:

The estimated water solubility is 5.748 mg/l at 25 ºC (EPI-Suite, WSKOW v1.41).

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Remarks:
No data on the methodology used to measured the water solubility. However, the value is consistent with other available data and it is taken into account for the weight of evidence analysis.
Principles of method if other than guideline:
No data provided on the test method.
GLP compliance:
no
Type of method:
other: no data
Key result
Water solubility:
0.6 mg/L
Conc. based on:
test mat. (dissolved fraction)
Temp.:
25 °C
Remarks on result:
other: Publication: no data provided on pH to be included under "Results and discussions".
Conclusions:
The water solubility of BHT is 0.6 mg/L at 25 ºC.
Executive summary:

The water solubility of BHT is 0.6 mg/L at 25 ºC.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Peer reviewed data.
Principles of method if other than guideline:
No data provided on test method.
GLP compliance:
not specified
Type of method:
other: no data
Key result
Water solubility:
0.4 mg/L
Conc. based on:
test mat. (dissolved fraction)
Temp.:
20 °C
Remarks on result:
other: Handbook: no data provided on the pH to be included under "Results and discussions".
Conclusions:
The water solubility is 0.4 mg/L at 20 ºC.
Executive summary:

The water solubility is 0.4 mg/L at 20 ºC.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study without detailed documentation
Remarks:
It is stated in the article that the procedures for measurement of water solubility were presented in the OECD Guidelines for Testing of Chemicals (1981) and therefore, they would not be discussed in the article.
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
The publication states that the procedures for measurement of water solubility were presented in the OECD Guidelines for Testing of Chemicals (1981) and therefore, they would not be discussed in the article.
Deviations:
not specified
Principles of method if other than guideline:
It is stated in the article that the procedures for measurement of water solubility were presented in the OECD Guidelines for Testing of Chemicals (1981) and therefore, they would not be discussed in the article.
GLP compliance:
not specified
Type of method:
other: no data
Key result
Water solubility:
0.4 mg/L
Conc. based on:
test mat. (dissolved fraction)
Temp.:
20 °C
Remarks on result:
other: Publication: no data provided on pH to be included under "Results and discussions".
Conclusions:
The water solubility is 0.4 mg/L at 20 ºC.
Executive summary:

The water solubility is 0.4 mg/l at 20 ºC.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
secondary literature
Remarks:
Data referenced in the article is taken from literature. Although the methodology is not included in the article, the values are taken into account for the weight of evidence analysis.
Principles of method if other than guideline:
No data provided on the test method.
GLP compliance:
not specified
Type of method:
other: no data
Key result
Water solubility:
0.4 mg/L
Conc. based on:
test mat. (dissolved fraction)
Temp.:
20 °C
Remarks on result:
other: Publication: no data provided on pH to be included under "Results and discussions".
Key result
Water solubility:
0.4 mg/L
Conc. based on:
test mat. (dissolved fraction)
Temp.:
25 °C
Remarks on result:
other: Publication: no data provided on the pH to be included under "Results and discussions".
Conclusions:
The water solubility is 0.4 mg/L at 20-25 ºC.
Executive summary:

The water solubility is 0.4 mg/L at 20-25 ºC.

Description of key information

Based on the experimental results from handbooks and scientific articles, the water solubility at 20 -25 ºC is 0.4 -0.6 mg/l.

Based on the estimated data using EPI-Suite, the water solubilty is 5.748 mg/l at 25 ºC.

Key value for chemical safety assessment

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

Additional information

Weight of evidence: Experimental results from handbooks and several scientific articles and estimated results using EPI-Suite (EPA, USA).