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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
Not applicable
Reliability:
1 (reliable without restriction)
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:
(D, L)-limonene falls inside the Applicability domain of the model In Silico Algorithm For envrironmental Risk assessment Toolbox, Linear v.1.1 (iSAFERAT Toolbox, Linear v.1.1)
Justification for type of information:
See attached QMRF and QPRF
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study
Qualifier:
no guideline required
Principles of method if other than guideline:
See attached QMRF and QPRF
GLP compliance:
no
Type of method:
other: QSAR
Water solubility:
2.65 mg/L
Temp.:
25 °C
pH:
>= 0 - <= 14
Remarks on result:
other:
Remarks:
No pH-dependence anticipated, based on structure (no ionisable function). Temperature not specified, but assumed ambient.
Details on results:
logSw=-4.61 mol/L: inside the reliable range for prediction

Not applicable

Conclusions:
Sw of (D,L)-limonene is 2.65 mg/L. Thereofre the substance is considered as slightly soluble.
Executive summary:

Water Solubility, Sw, of the substance (D,L)-limonene (CAS# 138-86-3), has been calculated by the model i-SAFERAT Toolbox, Linear v.1.1. Calculation was performed from the input Molecular Weight of (D,L)-limonene, and (D,L)-limonene falls inside the Applicability Domain of the model.

Therefore, the Sw value of (D,L)-limonene is 2.65 mg/L. (D,L)-limonene is considered as slightly soluble.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
No data
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
The reference cited is peer-reviewed, and therefore considered to be reliable, according to REACh TGD.
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study
Qualifier:
no guideline available
Principles of method if other than guideline:
No data
GLP compliance:
not specified
Type of method:
other: no data
Water solubility:
3 500 mg/L
Temp.:
21 °C
pH:
>= 0 - <= 14
Remarks on result:
other:
Remarks:
No pH-dependence anticipated, based on structure (no ionisable function).
Details on results:
pH not specified

No additional information

Conclusions:
A water solubility of 3500 mg/L at 21°C is reported.
Executive summary:

A water solubility of 3500 mg/L at 21°C is reported (no data on purity, nor method, nor pH).

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
Not applicable
Reliability:
1 (reliable without restriction)
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:
alpha-pinene falls inside the Applicability domain of the model In Silico Algorithm For envrironmental Risk assessment Toolbox, Linear v.1.1 (iSAFERAT Toolbox, Linear v.1.1)
Justification for type of information:
See attached QMRF and QPRF
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study
Qualifier:
no guideline required
Principles of method if other than guideline:
See attached QMRF and QPRF
GLP compliance:
no
Type of method:
other: QSAR
Water solubility:
1.82 mg/L
Temp.:
25 °C
pH:
>= 0 - <= 14
Remarks on result:
other:
Remarks:
No pH-dependence anticipated, based on structure (no ionisable function). Temperature not specified, but assumed ambient.
Details on results:
logSw=-4.87 mol/L: inside the reliable range for prediction

Not applicable

Conclusions:
Sw of alpha-pinene is 1.82 mg/L. thereofre the substance is considered as slightly soluble.
Executive summary:

Water Solubility, Sw, of the substance alpha-pinene (CAS# 80 -56 -8), has been calculated by the model i-SAFERAT Toolbox, Linear v.1.1. Calculation was performed from the input Molecular Weight of alpha-pinene, and alpha-pinene falls inside the Applicability Domain of the model.

Therefore, the Sw value of alpha-pinene is 1.82 mg/L. alpha-pinene is considered as slightly soluble.

Description of key information

The Water Solubility of Eucalyptus oil was calculated from data on its major constituents.

Key value for chemical safety assessment

Water solubility:
1.82 mg/L

Additional information

In a weight-of-evidence approach, 1,8-cineol water solubility data has been gathered (public reference). (D,L)-limonene, α-pinene and β-pinene values were calculated with iSAFERAT Toolbox, Linear, v1.1. These 3 components fall inside the Applicability domain of the model. All the available results on isomeric constituents were very similar. Therefore, the key value for the multi-constituent has been set as the lowest value of 1.82 mg/L. Indeed, at this concentration, it is supposed that the constituents are present at the same ratio as in the composition of the multi-constituent substance.

Water Solubility, Sw of (d,l)-limonene= 2.65 mg/L

Water Solubility, Sw of alpha-pinene= 1.82 mg/L

Water Solubility, Sw of 1,8-cineol= 3500 mg/L