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Solubility in organic solvents / fat solubility

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Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
04/07/2014 -04/07/2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Data is from experimental study report
Qualifier:
according to
Guideline:
other: AS MENTIONED BELOW
Principles of method if other than guideline:
Determination of solubility of organic solvents of phenol styrenated
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material: Phenol styrenated
- Molecular weight: 1011.3956 g/mol
- Smiles notation: OC1=C(C=C)C=C(C=C)C=C1
- InChl: InChI=1/C10H10O/c1-3-8-5-6-10(11)9(4-2)7-8/h3-7,11H,1-2H2
- Substance type: organic
- Physical state: Liquid
Key result
Medium:
acetonitrile
Solubility:
> 1 000 g/L
Temp.:
32 °C
Remarks on result:
other: Soluble
Key result
Medium:
methanol
Solubility:
> 1 000 g/L
Temp.:
32 °C
Remarks on result:
other: soluble
Key result
Medium:
toluene
Solubility:
> 1 000 g/L
Temp.:
32 °C
Remarks on result:
other: soluble
Key result
Medium:
dimethylformamide
Solubility:
> 1 000 g/L
Temp.:
32 °C
Remarks on result:
other: soluble
Key result
Medium:
acetone
Solubility:
200 - 1 000 g/L
Temp.:
32 °C
Remarks on result:
other: moderately soluble
Key result
Medium:
ethanol
Solubility:
100 - 200 g/L
Temp.:
32 °C
Remarks on result:
other: moderately soluble
Details on results:
The solubility range of the substance Phenol, styrenated in acetonitrile, methanol, toluene and DMF was found to be greater than 1000g/l. whereas the solubility range of the substance was found to be in the range of 200 – 1000g/l in case of acetone and 100-200 g/l in case of ethanol respectively and hence, the substance is found to be very soluble.
Conclusions:
The solubility range of the substance Phenol, styrenated in acetonitrile, methanol, toluene and DMF was found to be greater than 1000g/l. whereas the solubility range of the substance was found to be in the range of 200 – 1000g/l in case of acetone and 100-200 g/l in case of ethanol respectively and hence, the substance is determine to be very soluble.
Executive summary:

The solubility determination of test substance styrenated phenol (CAS No. 61788-44-1) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). Thus, the solubility value of the test substance in acetonitrile, methanol, toluene and DMF was found to be greater than 1000 g/l whereas the solubility value in acetone and ethanol was determine to be in the range of 200 – 1000g/l and 100-200 g/l, respectively at 32 °C.

Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
14.05.2013-22.05.2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Justification for type of information:
Data is from experimental study report
Qualifier:
according to
Guideline:
other: Gravimetric method
Principles of method if other than guideline:
Weight of the chemical substance (fat) to dissolve in Organic Solvent to form a homogeneous solution of the solute in the solvent
GLP compliance:
no
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Specific details on test material used for the study:
- Name of test material: Phenol styrenated
- Molecular weight: 1011.3956 g/mol
- Smiles notation: OC1=C(C=C)C=C(C=C)C=C1
- InChl: InChI=1/C10H10O/c1-3-8-5-6-10(11)9(4-2)7-8/h3-7,11H,1-2H2
- Substance type: organic
- Physical state: Liquid
Key result
Medium:
other: Petroleum ether
Solubility:
1 000 000 mg/L
Temp.:
37 °C
Remarks on result:
other: very soluble
Conclusions:
The experimental value of solubility of Phenol, styrenated in petroleum ether at 37 deg C was determine to be 1000000 mg/L indicating that this substance is very soluble in petroleum ether.
Executive summary:

The experimental value of solubility of Phenol, styrenated in petroleum ether at 37 deg C was determine to be 1000000 mg/L indicating that this substance is very soluble in petroleum ether.

Description of key information

The solubility determination of test substance styrenated phenol (CAS No. 61788-44-1) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). Thus, the solubility value of the test substance in acetonitrile, methanol, toluene and DMF was found to be greater than 1000 g/l whereas the solubility value in acetone and ethanol was determine to be in the range of 200 – 1000g/l and 100-200 g/l, respectively at 32 °C.

Key value for chemical safety assessment

Solubility in organic solvents at 20°C:
1 000 g/L

Additional information

The solubility determination of test substance styrenated phenol (CAS No. 61788-44-1) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). Thus, the solubility value of the test substance in acetonitrile, methanol, toluene and DMF was found to be greater than 1000 g/l whereas the solubility value in acetone and ethanol was determine to be in the range of 200 – 1000g/l and 100-200 g/l, respectively at 32 °C.

Gravimetric method was used to determine the solubility of the substance in organic solvent. The experimental value of solubility of Phenol, styrenated in methanol at 37 degC was found to be 1000000 mg/L indicating that this substance is very soluble in methanol.Using the Soxhlet/Solvent extraction method the solubility of the substance in Petroleum ether is observed to be 1000000 mg/L at 37 degC. The solubility value of Phenol, styrenated in methanol and Petroleum ether at 20 degC is equivalent to a value of 540540.54 mg/L.