1,3-diisopropylbenzene

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

1983

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: guideline study (literature not available), the data, however, were evaluated in the frame of the OECD SIDS program and therefore regarded as valid

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Key result

Water solubility:

72 µg/L

Temp.:

25 °C

Remarks on result:

other: The water solubility of m-DIPB was determined as 72 µg/L

Water solubility:

> 0.041 - <= 0.072 mg/L

Conc. based on:

test mat.

Temp.:

25 °C

pH:

ca. 7

Remarks on result:

other: Water solubility of m - Diisopropylbenzene is 0.072 mg/L at 25 °C. Water solubility of p - Diisopropylbenzene is 0.0405 mg/L at 25 °C.

The water solubilities of m-diisopropylbenzene and p-diisopropylbenzene were determined to be 0.072 and 0.0405 mg/L at 25 °C, respectively.

Conclusions:

Interpretation of results: insoluble (< 0.1 mg/L)
The water solubilities of m-diisopropylbenzene and p-diisopropylbenzene were determined to be 0.072 and 0.0405 mg/L at 25 °C, or 72 and 40.5 µg/L, respectively.
According to the classification m- and p-diisopropylbenzene are regarded as insoluble.

Executive summary:

In a study conducted according to OECD Guideline 105 (Water Solubility), the water solubilities of m-diisopropylbenzene and p-diisopropylbenzene were determined to be 0.072 and 0.0405 mg/L at 25 °C, respectively.

Reference 2

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

3 MAR 2022

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

Justification for type of information:

1. SOFTWARE
OECD QSAR toolbox v4.5

2. MODEL (incl. version number)
WSKOWWIN v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CC(C)c1cccc(c1)C(C)C

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the QMRF attached under 'Attached justification'.

5. APPLICABILITY DOMAIN
Please refer to the QPRF attached under 'Attached justification'.

Qualifier:

according to guideline

Guideline:

other: REACH guidance on QSARs Chapter R.6

Version / remarks:

May 2008

Principles of method if other than guideline:

Software tool(s) used including version: OECD QSAR toolbox v4.5, EPI Suite v4.11
- Model(s) used: WSKOWWIN v1.43
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification'

Specific details on test material used for the study:

CC(C)c1cccc(c1)C(C)C

Key result

Water solubility:

4.841 mg/L

Remarks on result:

other: WSKOWIN v1.43 value without user entered experimental melting point was predicted to be 4.33 mg/L. When manually entering the experimental melting point of -68.24 deg C, the water solubility was predicted to be 4.841mg/L.

Conclusions:

The water solubility of test item was calculated to be 4.841 mg/L using the US- EPA software WSKOWWIN v1.43.

Executive summary:

The estimation of water solubility was done using the software WSKOWWIN v.1.43 implemented in EPIWIN program. The water solubility of test item without user entered experimental melting point was predicted to be 4.33 mg/L. When manually entering the experimental melting point of -68.24 deg C, the water solubility was predicted to be 4.841mg/L. The prediction was in the applicability domain of the model.

Description of key information

In a study conducted according to OECD Guideline 105 (Water Solubility), the water solubilities of m-diisopropylbenzene and p-diisopropylbenzene were determined to be 0.072 and 0.0405 mg/L at 25 °C, respectively.

The estimation of water solubility was done using the software WSKOWWIN v.1.43 implemented in EPIWIN program. The water solubility of test item without user entered experimental melting point was predicted to be 4.33 mg/L. When manually entering the experimental melting point of -68.24 °C, the water solubility was predicted to be 4.841mg/L. The prediction was in the applicability domain of the model.

In a worst case approach the higher value has been chosen as Key value. 

Key value for chemical safety assessment

Water solubility:

4.841 mg/L