3-chloroperbenzoic acid

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))

Qualifier:

according to guideline

Guideline:

EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))

GLP compliance:

yes

Type of method:

HPLC estimation method

Media:

soil

Test temperature:

Column temperature < 39°C > 41°C
Autosampler temperature 4°C

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Acquity UPLC system
- Type, material and dimension of analytical (guard) column: Acquity UPLC HSS Cyano, 100 mm x 2.1 mm i.d., dp = 1.8 µm
- Detection system: Acquity UPLC TUV detector

MOBILE PHASES
Mobile phase pH 2 55/45 (v/v) methanol/ buffer pH 2
Mobile phase pH 7 55/45 (v/v) methanol/ buffer pH 7

Details on sampling:

Additional QC samples were prepared and stored in the freezer (≤ -15°C) for at least 16 hours. On the day of analysis, the samples were thawed at room temperature and treated identically as freshly analyzed QC samples. The stored samples were found to be stable if the mean accuracy was in the range 70-110%.

Computational methods:

The equation of the regression line was: log k’ = 0.312 ´ log Koc – 0.913 (r = 0.98, n = 16).

Key result

Sample No.:

#1

Type:

log Koc

Remarks:

Peak 1

Value:

1.93 dimensionless

pH:

2

Temp.:

40 °C

Key result

Sample No.:

#1

Type:

log Koc

Remarks:

Peak 1

Value:

< 1.26 dimensionless

pH:

7

Temp.:

40 °C

Key result

Sample No.:

#1

Type:

log Koc

Remarks:

Peak 2

Value:

1.93

pH:

2

Temp.:

40 °C

pH 2: Kocof the Test Item
Substance	Retention time (min)			log Koc	Koc
	tr,1	tr,2	mean
Formamide (t0)	0.738	0.743	0.741
Acetanilide	0.922	0.932		1.26
Monuron	1.103	1.112		1.99
2,5-Dichloroaniline	1.229	1.234		2.55
Naphthalene	1.412	1.416		2.75
Benzoic acid phenylester	1.63	1.631		2.87
Fenthion	2.114	2.107		3.31
Phenanthrene	2.314	2.306		4.09
4,4’-DDT	5.22	5.198		5.63
Test item	1.099	1.106	1.103	1.93	8.5 ´ 10^1

pH 7: Kocof the Test Item
Substance	Retention time (min)			log Koc	Koc
	tr,1	tr,2	mean
Formamide (t0)	0.762	0.755	0.759
Acetanilide	0.973	0.965		1.26
Monuron	1.172	1.164		1.99
2,5-Dichloroaniline	1.29	1.298		2.55
Naphthalene	1.497	1.503		2.75
Benzoic acid phenylester	1.778	1.768		2.87
Fenthion	2.249	2.263		3.31
Phenanthrene	2.523	2.52		4.09
4,4’-DDT	5.617	5.672		5.63
Test item – peak 1	0.561	0.561	0.561	< 1.26	< 1.8 ´ 10^1
Test item – peak 2	1.439	1.439	1.439	2.66	4.5 ´ 10^2

 

Conclusions:

The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of 3-Chloroperoxybenzoic Acid. The log Koc values of the test item peak 1 at pH 2 and pH 7 were: 1.93 and < 1.26. The log Koc values of the test item peak 2 at pH 7 was: 2.66.

Executive summary:

 The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (K_oc) of 3-Chloroperoxybenzoic Acid. The log K_ocvalues of the test item peak 1 at pH 2 and pH 7 were: 1.93 and < 1.26. The log Koc values of the test item peak 2 at pH 7 was: 2.66.

Description of key information

The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of 3-Chloroperoxybenzoic Acid. The log Koc values of the test item peak 1 at pH 2 and pH 7 were: 1.93 and < 1.26. The log Koc values of the test item peak 2 at pH 7 was: 2.66.

Key value for chemical safety assessment

Koc at 20 °C:

457.1