Hexadecan-1-ol

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

other: Calculated (further infomation not available)

Adequacy of study:

supporting study

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint.

Principles of method if other than guideline:

Method: other: berechnet (calculated)

Water solubility:

0.013 mg/L

Temp.:

25 °C

Water solubility:

0.015 mg/L

Temp.:

43 °C

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2009-10-02

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Test procedure in accordance with national standard methods (ASTM) without GLP.

Qualifier:

according to guideline

Guideline:

other: ASTM E 1148

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Water solubility:

< 1 mg/L

Temp.:

23 °C

pH:

5.5

Remarks on result:

other: Standard Deviation for these Data : none

Measurement

(triple determination)

Results: Not Detected / Not Detected / Not Detected

Mean Concentration in Water: <1.0 mg/L

Standard Deviation for These Data: none

Conclusions:

Interpretation of results: slightly soluble (0.1-100 mg/L)
The water solubility was determined to be <1.0 mg/l at 23 °C.

Executive summary:

Hexadecan-1-ol was determined according ASTM E 1148. The water solubility was determined to be <1.0 mg/l at 23 °C.

Reference 3

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint.

Principles of method if other than guideline:

Method: other: gemessen ueber radioaktive Markierung

Water solubility:

0.008 mg/L

Temp.:

34 °C

Reference 4

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Value obtained from a recognised source of physico-chemical data.

Principles of method if other than guideline:

Method: other

Water solubility:

0.03 mg/L

Reference 5

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Remarks:

The value was predicted using a multiple partitioning model, supported by additional validation.

Justification for type of information:

Refer to attached documents

Principles of method if other than guideline:

Method: other: (calculated) partition model

GLP compliance:

no

Water solubility:

0.043 mg/L

Temp.:

25 °C

The water solubility is estimated to be 0.043 mg/l at a loading rate of 1000 mg/l.

Reference 6

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint.

Principles of method if other than guideline:

Method: other: berechnet

Water solubility:

0.12 mg/L

Temp.:

25 °C

Reference 7

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Value obtained from a recognised source of physico-chemical data. This reference is considered as definitive for water solubility values.

Principles of method if other than guideline:

Method: other

Water solubility:

0.013 mg/L

Temp.:

25 °C

Reference 8

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Value obtained from a recognised source of physico-chemical data. This reference is considered as definitive for water solubility values.

Principles of method if other than guideline:

Method: other: gemessen (keine weiteren Angaben)

Water solubility:

0.024 mg/L

Temp.:

25 °C

Description of key information

The water solubility of a commercial hexadecan-1-ol product is <1 mg/L at 23°C. It is supported by a value of 0.024 mg/L at 25 ºC, taken from a reliable and definitive reference source for solubility data (Yalkowsky and Valvani, 1980).

Key value for chemical safety assessment

Water solubility:

0.024 mg/L

at the temperature of:

25 °C

Additional information

The solubility of <1 mg/L was determined in a reliable study.

It is supported by a value of 0.024 mg/L at 25 ºC, taken from a reliable and definitive reference source for solubility data (Yalkowsky and Valvani, 1980), and consistent results from other reference sources of non-assignable reliability. The quantitative result from Yalkowsky and Valvani is used in environmental modelling.

Discussion of trends in the Category of C6-24 linear and essentially-linear aliphatic alcohols:

As chain length increases, water solubility decreases, because the free energy required for a molecule to dissolve becomes less favourable for larger molecules.

Reference:

Yalkowsky and Valvani, 1980: J.Pharm Sci 69 912 (1980), taken from Satyanarayana, D.; Charyulu, R. Narayana; and Nagavi, B. G., Asian Journal of Chemistry (1997), 9(3), 418-426.