Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
October 13 - December 18, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
no
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Lot No. 040953406F
- Expiration date of the lot/batch: 2 years after production date.
- Purity test date: 3 February 2017

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Keep container tightly closed. Keep in a dry, cool and well ventilated place.

OTHER SPECIFICS:
- Storage at testing facility: 2 years
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
1.96
Temp.:
25 °C
Remarks on result:
other: pH not indicated
Table 1. Partition Coefficient (n-octanol/water): Reference substances analysis

Reference Substance

(HPLC/UV)

4-Acetylpiridine

Aniline

Benzonitrile

Methyl

Benzoate

t0 (min)(1)

2.38

2.38

2.38

2.38

tr A(min)

2.734

2.910

3.270

4.160

tr B(min)

2.740

2.910

3.280

4.170

Mean(min)

2.74

2.91

3.28

4.17

k’

0.152

0.224

0.378

0.753

log k’ (X)

-0.8190

-0.6488

-0.4224

-0.1234

logPow (Y)(2)

0.5

0.9

1.6

2.1

(1) t0 dead time: retention time (mean of 2 injection) of thiourea reference substance as reported in OECD Testing Guideline No. 117.

(2) logPow values are listed in Table 1 of the OECD No. 117 guideline.

 

Table 2 (Continue). Partition Coefficient (n-octanol/water): Reference substances analysis

Reference Substance

(HPLC/UV)

Ethyl

Benzoate

Diphenylamine

Benzyl

Benzoate

Phenanthrene

t0 (min)(1)

2.38

2.38

2.38

2.38

tr A(min)

5.010

6.190

8.147

12.914

tr B(min)

5.020

6.180

8.141

12.890

Mean(min)

5.02

6.19

8.14

12.90

k’

1.110

1.603

2.427

4.429

log k’ (X)

0.0454

0.2048

0.3850

0.6463

logPow (Y)(2)

2.6

3.4

4.0

4.5

(1) t0 dead time: retention time (mean of 2 injection) of thiourea reference substance as reported in OECD Testing Guideline No. 117.

(2) logPow values are listed in Table 1 of the OECD No. 117 guideline.

Table 3. Partition Coefficient (n-octanol/water): Calculation of the regression plot and test itemlogPow & Pow values

Linear calibration

curve parameters

Parameter m

(slope)

Parameter q

(intercept)

Parameter R2

(correlation)

2.805

2.707

0.98648

Test item

tr A(min)

tr B(min)

tr Mean (min)

2933331-001

3.660

3.660

3.66

 

tr Mean

k’

log k’

3.66

0.540

- 0.2675

logPow

1.96

Pow

90.43

Conclusions:
The partition coefficient of trimethyl benzene-1,2,4-tricarboxylate (TMTM) was determined as: Log10 Pow = 1.96 at 25 deg C.
Executive summary:

The partition coefficient of trimethyl benzene-1,2,4-tricarboxylate (TMTM) was determined as: Log10 Pow = 1.96 at 25 deg C.

Description of key information

Log10 Pow = 1.96

Key value for chemical safety assessment

Log Kow (Log Pow):
1.96
at the temperature of:
25 °C

Additional information

The partition coefficient, determined using the HPLC method in accordance with OECD method, has been determined as: Log10 Pow = 1.96 at 25 deg C.

Supporting studies report a calculated value of Log10 Pow = ca 1.65 at 25 deg C.