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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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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Administrative data

Endpoint:
water solubility
Type of information:
migrated information: read-across based on grouping of substances (category approach)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non-GLP, guideline not known, information from published handbook, acceptable with restrictions

Data source

Reference
Reference Type:
review article or handbook
Title:
Handbook of aqueous solubility data
Author:
Yalkowsky SH and He Y
Year:
2003
Bibliographic source:
CRC Press, Boca Raton

Materials and methods

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 Handbook of Aqueous Solubility Data states that it is an extensive compilation of published data. Each record is evaluated against a five point scheme based on the reporting of temperature, purity of the solute, equilibration time/agitiation, analysis and accuracy and/or precision, allowing the reader to select the most reliable and representative value. 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: method not reported

Test material

Constituent 1
Reference substance name:
Hexenes, C6H12
IUPAC Name:
Hexenes, C6H12
Constituent 2
Reference substance name:
Hexene
EC Number:
246-768-2
EC Name:
Hexene
Cas Number:
25264-93-1
Molecular formula:
C6H12
IUPAC Name:
hexene
Details on test material:
Data is reported for various branched C6H12: 2-methyl-1-pentene, 4-methyl-1-pentene

Results and discussion

Water solubility
Water solubility:
48 - 78 mg/L
Temp.:
25 °C
pH:
7
Details on results:
pH not reported so assumed to be 7.

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The solubility of two branched C6H12 substances is 48-78mg/l at 25°C
Executive summary:

This information is taken from a peer reviewed handbook and so can be considered reliable and suitable for use in the assessment.