Undecan-1-ol

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

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

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Water solubility:

6.3 mg/L

Temp.:

20 °C

Remarks on result:

other: The pH of the measurement is not reported.

MEASUREMENT

TEMPERATURE:20°C

EQUILIBRATION TIME FOR SOLUBILIZATION:24 h / 48 h / 72 h

SAMPLE WEIGHT:0,1004 g / 0,0979 g / 0,1076 g

VOLUME OF WATER:40 ml / 40 ml / 40 ml

1ST DETERMINATION: 94.3 mg/l / 4.9 mg/l / 5.1 mg/l

2ND DETERMINATION: 4.4 mg/l / 4.8 mg/l / 5.1 mg/l

WATER SOLUBILITY (AVERAGE) (AS TOC): 4.8 mg/l

WATER SOLUBILITY ( AS LIAL 111): 6.3 mg/l

Executive summary:

Undecanol, branched and linear is measured according to OECD 105. The water solubility is determined to be 6.3 mg/l at 20 °C.

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2009/06/05

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

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

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Water solubility:

5.7 mg/L

Temp.:

20 °C

pH:

ca. 7

MEASUREMENT (repeat determination)

TEMPERATURE:20°C

EQUILIBRATION TIME FOR SOLUBILIZATION: 24 h (48h) [72h]

SAMPLE WEIGHT: 0.0998g (0.0966g) [0.1043g]

VOLUME OF WATER: 40 ml (40 ml) [40 ml]

WATER SOLUBILITY: 4.5 / 4.6 (4.7 / 4.7) [3.9 / 3.7]

Conclusions:

Interpretation of results: slightly soluble (0.1-100 mg/L)
Water solubility of undecan-1-ol = 5.7 mg/L at 20 °C.

Executive summary:

Water solubility of undecan-1-ol = 5.7 mg/L at 20 °C; determined according to OECD Guideline 105.

Reference 3

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: This result was obtained from a secondary source which is peer-reviewed.

Principles of method if other than guideline:

Experimental measurement (information about the methodology is not available)

GLP compliance:

not specified

Water solubility:

8 mg/L

Temp.:

20

Conclusions:

A water solubility value of 8 mg/L is reported at 20ºC in a collection of reliable data which has been subject to peer-review and in which the original data sources are traceable. The result is considered to be reliable.

Reference 4

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:

Please refer to attached justification documents

Principles of method if other than guideline:

Method: other: (calculated) partition model

GLP compliance:

no

Water solubility:

8.3 mg/L

Temp.:

25 °C

The water solubility is estimated to be 8.3 mg/l at a loading rate of 100 mg/l.

Conclusions:

A water solubility value of 8.3 mg/l was obtained at 25°C using an accepted calculation method. The result is considered to be reliable.

Description of key information

The water solubility of undecan-1-ol is 5.7 mg/L at 20°C.

Key value for chemical safety assessment

Water solubility:

5.7 mg/L

at the temperature of:

20 °C

Additional information

The solubility of 5.7 mg/L was determined in a reliable study.

It is supported by a value of 8.0 mg/L at 20 ºC, taken from a reliable reference source for solubility data which is closely corroborated by QSAR.

The value taken from literature for pure alcohol is used in exposure 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.