3,3'-methylenebis[5-methyloxazolidine]

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

2002

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Guideline study (OECD 117) in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

GLP compliance:

yes (incl. QA statement)

Remarks:

Fraunhofer

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Type:

log Pow

Partition coefficient:

1.89

Temp.:

30 °C

Remarks on result:

other: 5-Methyl-oxazolidine as reaction product of MBO determined.

Conclusions:

The partition coefficient between n-octanol and water determined according to OECD guideline 117 resulted in a value of 1.89 based on 5-methyl-oxazolidine.

Reference 2

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

Experimental start: 2001-12-26; Experimental termination: 2001-12-28

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Guideline study (EU A.8) in compliance with GLP.

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes (incl. QA statement)

Remarks:

Jai Research Foundation

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Type:

log Pow

Partition coefficient:

-0.225

Remarks on result:

other: Based on formaldehyde. Total formaldehyde determined after derivatisation with hydroxylammonium chloride.

Type:

log Pow

Partition coefficient:

-0.552

Remarks on result:

other: Based on Isopropanolamine (IPA). Total IPA determined potentiometrically.

Details on results:

temperature: no data
pH: no data

Conclusions:

The partition coefficient between n-octanol and water of the reaction product determined according to EU method A.8 resulted in values of -0.23 based on formaldehyde analysis and -0.55 based on analysis of 2-hydroxypropylamine.

Reference 3

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

Experimental start: 2001-05-30; Experimental termination: 2001-06-01

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

Guideline study (EU A.8) in compliance with GLP.

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes (incl. QA statement)

Remarks:

Jai Research Foundation

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Type:

log Pow

Partition coefficient:

-0.043

Remarks on result:

other: Total formaldehyde determined after derivatisation with hydroxylammonium chloride; total HPA determined potentiometrically. Result based on the sum of FA and HPA

Details on results:

result: -0.043 (mean)
n-octanol/water 1:1:
-0.075
temperature: no data
pH: no data

n-octanol/water 1:2:
-0.210
n-octanol/water 2:1:
0.156

Conclusions:

The partition coefficient between n-octanol and water of the reaction product determined according to EU method A.8 resulted in a value of -0. 043 based on the nominal concentration of the substance.

Description of key information

The reaction product was tested three times for the partition coefficient between n-octanol and water with different modifications of the test protocol. The study of Schülke & Mayr (2001) according to EU method A.8 resulted in a value of -0. 043 based on the nominal concentration of the active substance. The study of Schülke & Mayr (2002) according to EU method A.8 resulted in values of -0.23 based on formaldehyde analysis and -0.55 based on analysis of 2-hydroxypropylamine. The study of Bode according to OECD guideline 117 resulted in a value of 1.89 based on 5-methyl-oxazolidine.

Key value for chemical safety assessment

Log Kow (Log Pow):

-0.043

Additional information

In both studies of Schülke & Mayr according to EC method A.8 the standard test procedure was modified and modifications differ between the performed tests. In both studies the partition coefficient was determined only in the water phase via measurement of the degradation products of the substance. The content in the n-octanol phase was calculated by subtraction of the water-phase content from the total content. In the first study a log P_OWvalue of -0.043 was determined based on the nominal concentration of the substance. The stock solution of the test substance was prepared in n-octanol. The second study exhibited a log P_OWvalue of -0.23 based on formaldehyde analysis and -0.55 via analysis of 2-hydroxypropylamine. For this second test the stock solution of the test substance was prepared in water and the contents of formaldehyde and 2-hydroxypropylamine were determined. For the exposure calculations a log P_OW of -0.043 is used as a worst case. The third study was performed according to OECD 117. Due to the instability of the substance, the hydrolysis product 5-methyl-oxazolidine was chosen as the analytical target and measured by HPLC. The log P_OWvalue for the latter compound was determined as 1.89. The estimated value of the main constituent 3,3’-methylene-bis(5-methyl-oxazolidine) can be assumed to be lower than the value detected for the degradation product as the calculated log P_OW for the test substance is lower (-0.58) than the calculated value for 5-methyl-oxazolidine (-0.08).