2-propen-1-amine, N-2-propen-1-yl-, hydrochloride

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

other: Expert Assessment

Adequacy of study:

key study

Study period:

2021

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: An assessment was performed based on the examination of the read-across substance diallylamine (EC 204-671-2, CAS 124-02-7) as the partition co-efficient by OECD 107 was not feasible.

Qualifier:

no guideline followed

Principles of method if other than guideline:

An assessment was carried out based on the examination of the read-across substance diallylamine (EC 204-671-2, CAS 124-02-07).

GLP compliance:

no

Type of method:

other: Expert Assessment

Partition coefficient type:

octanol-water

Key result

Type:

log Pow

Partition coefficient:

-0.653

Temp.:

23 °C

pH:

ca. 7

Details on results:

The water solubility of the test item could not be determined by OECD 105 and therefore the determination of the partition co-efficient by OECD 107 was deemed unfeasible. Therefore, the use of diallylamine as a read-across substance was deemed appropriate.

The partition co-efficient of diallylamine was determined using the OECD 107 (Partition Coefficient (n-octanol/water), Shake Flask Method). The partition coefficient at pH 7 has been determined to be 0.226 and a log Pow of -0.653 at 23 +/- 5 oC. As the pH range 5.5-7.5 it is thought that the diallylamine will essentially be in its ionised form and therefore a good representation for 2-propen-1-amine, N-2-propen-1-yl, hydrochloride (1:1).

Conclusions:

An assessment was performed for the partition co-efficient of 2-propen-1-amine, N-2-propen-1-yl-, hydrochloride using the read-across substance diallylamine. The log Pow for 2-propen-1-amine, N-2-propen-1-yl, hydrochloride was -0.653.

Executive summary:

An assessment was performed for the partition co-efficient of 2-propen-1-amine, N-2-propen-1-yl, hydrochloride.  The assessment is based on the read-across substance diallylamine (EC 204-671-2, CAS 124-02-7). 

The water solubility of the test item could not be determined by OECD 105 and therefore the determination of the partition co-efficient by OECD 107 was deemed unfeasible. Therefore, the use of diallylamine as a read-across substance was deemed appropriate.

The partition co-efficient of diallylamine was determined using the OECD 107 (Partition Coefficient (n-octanol/water), Shake Flask Method). The partition coefficient at pH 7 has been determined to be 0.226 and a log Pow of -0.653 at 23 +/- 5 oC. As the pH range 5.5-7.5 it is thought that the diallylamine will essentially be in its ionised form and therefore a good representation for 2-propen-1-amine, N-2-propen-1-yl, hydrochloride (1:1).

 

Description of key information

An assessment was performed for the partition co-efficient of 2-propen-1-amine, N-2-propen-1-yl, hydrochloride.  The assessment is based on the read-across substance diallylamine (EC 204-671-2, CAS 124-02-7).

The water solubility of the test item could not be determined by OECD 105 and therefore the determination of the partition co-efficient by OECD 107 was deemed unfeasible. Therefore, the use of diallylamine as a read-across substance was deemed appropriate.

The partition co-efficient of diallylamine was determined using the OECD 107 (Partition Coefficient (n-octanol/water), Shake Flask Method). The partition coefficient at pH 7 has been determined to be 0.226 and a log Pow of -0.653 at 23 +/- 5 oC. As the pH range 5.5-7.5 it is thought that the diallylamine will essentially be in its ionised form and therefore a good representation for 2-propen-1-amine, N-2-propen-1-yl, hydrochloride (1:1).

Key value for chemical safety assessment

Log Kow (Log Pow):

-0.653

at the temperature of:

23 °C