A mixture of: 2,2,6,6-tetramethylpiperidin-4-yl-hexadecanoate; 2,2,6,6-tetramethylpiperidin-4-yl-octadecanoate

Partition coefficient

Administrative data

Endpoint:

partition coefficient

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 EU-method A.8 and OECD guideline 117. Restrictions: no GLP study.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2009

Report date:

2009

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

A mixture of: 2,2,6,6-tetramethylpiperidin-4-yl-hexadecanoate; 2,2,6,6-tetramethylpiperidin-4-yl-octadecanoate

EC Number:

415-430-8

EC Name:

A mixture of: 2,2,6,6-tetramethylpiperidin-4-yl-hexadecanoate; 2,2,6,6-tetramethylpiperidin-4-yl-octadecanoate

Cas Number:

86403-32-9

Molecular formula:

C25H49NO2 C27H53NO2

IUPAC Name:

Reaction mass of 2,2,6,6-tetramethylpiperidin-4-yl hexadecanoate and 2,2,6,6-tetramethylpiperidin-4-yl octadecanoate

Constituent 2

Reference substance name:

Reaction mass of: 2,2,6,6-tetramethylpiperidin-4-yl-hexadecanoate; 2,2,6,6-tetramethylpiperidin-4-yl-octadecanoate

IUPAC Name:

Reaction mass of: 2,2,6,6-tetramethylpiperidin-4-yl-hexadecanoate; 2,2,6,6-tetramethylpiperidin-4-yl-octadecanoate

Details on test material:

Appearance at 20°C: Waxy solid
Saponification Number: 128-137 mg KOH/g
Transmittance (10% solution in Toluene): Min. 75% (at 425 nm); Min. 85% (at 450 nm)
Melting Point: >28°C
Ash: Max. 0.1%

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

> 6.5

Temp.:

40 °C

pH:

ca. 7

Any other information on results incl. tables

Calculation

1. Capacity factor

The capacity factor was determined using the following equotation:

k=t_r-t₀/t₀ (Equotation 1)

where:

k = capacity factor

t_r= retention time (min)

t₀= dead time (min)

2. Results

2.1 Definitive test

Calibration

The retention times of water and the retention times, capacity factors (k) and log₁₀P_OW values for the reference standards are shown in the following two tables:

Dead time	Mean retention time [min]
water	1.934

Standard	Mean retention time [min]	Capacity factor [k]	Log10k	Log10POW
Toluene	3.660	0.89245	-0.0494	2.7
Naphthalene	4.698	1.42916	0.1550	3.6
Biphenyl	5.182	1.67942	0.2252	4.0
Lauric acid	5.441	1.81334	0.2585	4.2
Dibenzyl	6.765	2.49793	0.3976	4.8
Triphenylamine	7.971	3.12151	0.4944	5.7

A calibration curve was constructed from the retention time data of the water and reference standard solutions (see attached full study report). The capacity factors (k) for th reference standards were calculated using Equotation 1 (see above). Log₁₀P_OW values of the reference standards are those quoted in Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

Partition coefficient of the sample

The retention times, capacity factors and log₁₀P_OW values determined for the test sample are shown in the following table:

Injection	Retention time [min]	Capacity factor [k]	Log10k	Log10POW
1	>30	>14.5	>1.16	>6.5 out of range
2	>30	>14.5	>1.16	>6.5 out of range

The HPLC method enables partition coefficients to be estimated in the log POW range 0 to 6.

2.2 Conclusion

- Log₁₀P_OW: >6.5

- Partition coefficient: >3.16 x 10⁶

Applicant's summary and conclusion

Conclusions:

The partition coefficient of the test material has been determined to be greater than log10POW > 6.5 (at 40°C and pH7)