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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: According to GLP.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Reason / purpose for cross-reference:
read-across source
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
not specified
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
0.58 mg/L
Temp.:
20 °C
pH:
7
Conclusions:
Interpretation of results: slightly soluble (0.1-100 mg/L)

The Hydrocarbons,C5-C7 n-alkanes, isoalkanes,n-hexane rich have a water solubility of 0.58 mg/L.
Executive summary:

The Hydrocarbons, C5-C7 n-alkanes, isoalkanes, n-hexane rich have a water solubility of 0.58 mg/L. The study was conducted according to a standard guideline and so is considered reliable for assessment of this endpoint.

Endpoint:
water solubility
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. This is a peer reviewed handbook and it is therefore accepted that this data source is reasonably reliable.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Reason / purpose for cross-reference:
read-across: supporting information
Principles of method if other than guideline:
No method specified as data was obtained from handbook.
Type of method:
other: Not specified
Key result
Water solubility:
21.2 mg/L
Conc. based on:
not specified
Temp.:
25 °C
Remarks on result:
other: pH not specified
Conclusions:
The water solubility of 2,2-dimethylbutane is reported to be 21.2 mg/L.
Executive summary:

The water solubility of 2,2-dimethylbutane is reported to be 21.2 mg/L. No information on the primary source of this data or the methods used is available. However, this information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint.

Endpoint:
water solubility
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. This is a peer reviewed handbook which gathered all the available data and evaluated them for inclusion. It is therefore considered that data from this publication is reliable for use.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Reason / purpose for cross-reference:
read-across: supporting information
Principles of method if other than guideline:
No method specified as data was obtained from handbook.
Type of method:
other: Not specified
Key result
Water solubility:
22.5 mg/L
Conc. based on:
not specified
Temp.:
25 °C
Remarks on result:
other: Some data not available.
Conclusions:
The water solubility of 2,3-dimethylbutane is reported to be 22.5 mg/L at 25 °C.
Executive summary:

The water solubility of 2,3-dimethylbutane is reported to be 22.5 mg/L at 25 °C. No information on the primary source of this data or the methods used is available. However, this information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Up to 2008
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: GLP status not known, guideline not known, information from a published handbook, acceptable with restrictions.
Principles of method if other than guideline:
The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to the CRC Handbook of Chemistry and Physics states that data for physical constants have been taken from many sources, including both compilations and the primary literature. Where conflicts were found, the value deemed most reliable was chosen. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
GLP compliance:
not specified
Type of method:
other: No data reported.
Key result
Water solubility:
0.01 g/L
Temp.:
25 °C
pH:
7
Remarks on result:
other: Standard pH conditions assumed.
Details on results:
No data reported.
Conclusions:
Interpretation of results: slightly soluble (0.1-100 mg/L)

The water solubility of Normal-Hexane is 0.0098 g/L at 25°C.
Executive summary:

The water solubility of Normal-Hexane has been taken from the CRC Handbook (Lide 2008). No information on the primary source of this data or the methods used is available. However, this information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint. The water solubility of Normal-Hexane is 0.0098 g/L at 25°C.

Endpoint:
water solubility
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Study period:
Up to 2008
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: GLP status not known, guideline not known, information from a published handbook, acceptable with restrictions.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Reason / purpose for cross-reference:
read-across: supporting information
Principles of method if other than guideline:
The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to the CRC Handbook of Chemistry and Physics states that data for physical constants have been taken from many sources, including both compilations and the primary literature. Where conflicts were found, the value deemed most reliable was chosen. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
GLP compliance:
not specified
Type of method:
other: No data reported.
Key result
Water solubility:
0.014 g/L
Temp.:
25 °C
pH:
7
Remarks on result:
other: Standard pH conditions assumed.
Details on results:
No data reported.
Conclusions:
Interpretation of results: slightly soluble (0.1-100 mg/L)

The water solubility of Iso-Hexane is 0.0137 g/L at 25°C.
Executive summary:

The water solubility of Iso-Hexane has been taken from the CRC Handbook (Lide 2008). No information on the primary source of this data or the methods used is available. However, this information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint. The water solubility of Iso-Hexane is 0.0137 g/L at 25°C.

Description of key information

There is data available for this substance. Additionally, key data is available for structural analogues Hydrocarbons, C5-C7 n-alkanes, isoalkanes, n-hexane rich; Iso-Hexane; 2,2-dimethylbutane and 2,3 -dimethylbutane. The data is read across to this substance based on analogue read across and a discussion and report on the read across strategy is provided as an attachment in IUCLID Section 13.

The water solubility of 2,2-dimethylbutane is reported to be 21.2 mg/L.

The water solubility of 2,3-dimethylbutane is reported to be 22.5 mg/L at 25 °C.

The water solubility of Hydrocarbons, C5-C7 n-alkanes, isoalkanes, n-hexane rich is reported to be 0.58 mg/L.

The water solubility of Iso-Hexane is reported to be 0.0137 g/L (13.7 mg/L) at 25°C.

The water solubility of Normal-Hexane is reported to be 0.0098 g/L (9.8 mg/L) at 25°C.

Key value for chemical safety assessment

Additional information

The information available is based on standard guidelines and peer reviewed handbook data, both considered reliable for assessment.