Dibenzo[b,f]cyclohepten-1-one

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

Justification for type of information:

Experimental test result performed using standard test guidelines

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))

Principles of method if other than guideline:

Adsorption coefficient of test chemical 1H-dibenzo[a,d][7]annulen-1-one was determined by using HPLC method.

GLP compliance:

not specified

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Specific details on test material used for the study:

- Name of test material (as cited in study report): 1H-dibenzo[a,d][7]annulen-1-one
- Molecular formula (if other than submission substance): C15H10O
- Molecular weight (if other than submission substance): 206.243 g/mol
- Smiles notation (if other than submission substance): c12c(ccc3c(c1=O)cccc3)cccc2
- InChI: 1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H
- Substance type: Organic
- Physical state: Solid

Radiolabelling:

no

Test temperature:

25°C

Details on study design: HPLC method:

HPLC Procedure:
The solutions of the test substance and reference substances were prepared in solvent mentioned in 4.3. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(table 3).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor.

Operating Conditions:
HPLC Model No. : Agilent Technologies,1260 Infinity
Flow Rate : 1.0ml/min
Column : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm
Mobile phase : ACN : water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Injector volume : 10μl
Data Acquisition software : ChemStationOpen lab Control Panel

Analytical monitoring:

not specified

Key result

Sample No.:

#1

Type:

log Koc

Value:

3.068 dimensionless

Temp.:

25 °C

Remarks on result:

other: other details not specified

Details on results (HPLC method):

The Adsorption coefficient (KOC) on soil and on sewage sludge of the 1H-dibenzo[a,d][7]annulen-1-one was determined to be 3.0677 ± 0.0003 at 25°C

Transformation products:

not specified

Tables 1:   

Reference substance	Log Koc	Rt1	Rt2	Rt3	Mean Rt ± S.D.	k	Log k
Urea		0.887	0.887	0.888	0.887±0.0005	0	0
4-chloroaniline	1.96	2.012	2.021		2.0165±0.0063	1.2734	0.105
4-methylaniline(p-	1.9				1.7515±0.0049	0.9746	-0.0112
Tolouidine)		1.755	1.748
N-methylaniline	2.28	2.303	2.294		2.2985±0.0063	1.5913	0.2018
p-toluamide	1.78	1.18	1.182		1.181±0.0014	0.3315	-0.4796
Aniline	2.07	1.513	1.495		1.504±0.0127	0.6956	-0.1576
2,5-Dichloroaniline	2.58	3.548	3.574		3.561±0.0183	3.0147	0.4792
4-nitrophenol	2.46	1.559	1.56		1.5595±0.0007	0.7582	-0.1202
2 - nitrophenol	2.47	2.213	2.224		2.2185±0.0077	1.5011	0.1764
2-nitrobenzamide	1.45	1.091	1.094		1.0925±0.0021	0.2317	-0.6351
3-nitrobenzamide	1.95	1.159	1.158		1.1585±0.0007	0.3061	-0.5142
Nitrobenzene	2.35	2.426	2.429		2.4275±0.0021	1.7368	0.2397
4-Nitrobenzamide	1.93	1.161	1.159		1.16±0.0014	0.3078	-0.5118
1-naphthylamine	3.51	2.389	2.393		2.391±0.0028	1.6956	0.2293
1-naphtol	3.3	2.41	2.403		2.4065±0.0049	1.7131	0.2338
Direct Red 81	3.43	0.827	0.818		0.8225±0.0063	-0.0727	1.139
Benzoic acid methylester	1.8	2.585	2.61		2.5975±0.0176	0.1917	-0.7175
Carbendazim	2.35	1.193	1.193		1.193±0	0.345	-0.4622
Benzoic acid phenylester	2.87	6.57	6.642		2.5975±0.0509	1.9284	0.2852

Xylene	2.58	6.241	6.232	6.2365±0.0063	6.031	0.7804
Ethylbenzene	2.649	6.359	6.355	6.357±0.0028	6.1669	0.7901
Toluene	2.369	4.378	4.382	4.38±0.0028	3.938	0.5953
Naphthalene	2.75	6.127	6.218	6.1725±0.0643	5.9589	0.7752
1,2,3-trichlorobenzene	3.16	9.519	9.541	9.53±0.0155	9.7441	0.9887
Pentachlorophenol	3.695	8.282	8.259	8.2705±0.0162	8.3241	0.9203
Phenol	1.32	1.455	1.455	1.455±0	0.6404	-0.1936
N,N-dimethylbenzamide	1.52	1.287	1.288	1.2875±0.0007	0.4515	-0.3453
3,5-dinitrobenzamide	2.31	1.308	1.311	1.3095±0.0021	0.4763	-0.3221
N-methylbenzamide	1.3	1.175	1.174	1.1745±0.0007	0.3241	-0.4893
Benzamide	1.26	1.092	1.092	1.092±0	0.2311	-0.6362
phenantrene;phenanthrene	4.09	11.996	11.779	11.8875±0.1534	12.4019	1.0935
Acetanilide	1.25	1.265	1.267	1.266±0.0014	0.4273	-0.3693

Table 2:

Test substance		K	Log k	Log Koc	Mean of Log Koc ± S.D.
Dibenzo[b,f]cyclohepten-1-one				by Generalized Calibration
				Graph
Rt1	6.152	5.9357	0.7734	3.0679
					3.0677±0.0003
Rt2	6.147	5.9301	0.7730	3.0674

Validity criteria fulfilled:

yes

Conclusions:

The Adsorption Coefficient of test substance 1H-dibenzo[a,d][7]annulen-1-one was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 3.0677 ± 0.0003 at 25°C. Thus based on the result it is concluded that the test substance 1H-dibenzo[a,d][7]annulen-1-one has a moderate sorption to soil and sediment and therefore has slow migration potential to ground water.

Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge of test chemical 1H-dibenzo[a,d][7]annulen-1-one was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 . The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were having Koc value ranging from 1.25 to 4.09.The Log Koc value was determined to be 3.0677 ± 0.0003 dimensionless at 25°C. Thus based on the result it is concluded that the test substance has a moderate sorption to soil and sediment and therefore has slow migration potential to ground water.

Description of key information

The adsorption coefficient Koc in soil and in sewage sludge of test chemical 1H-dibenzo[a,d][7]annulen-1-one was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 . The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were having Koc value ranging from 1.25 to 4.09.The Log Koc value was determined to be 3.0677 ± 0.0003 dimensionless at 25°C. Thus based on the result it is concluded that the test substance has a moderate sorption to soil and sediment and therefore has slow migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:

3.068

Additional information

The adsorption coefficient Koc in soil and in sewage sludge of test chemical 1H-dibenzo[a,d][7]annulen-1-one was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 . The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were having Koc value ranging from 1.25 to 4.09.The Log Koc value was determined to be 3.0677 ± 0.0003 dimensionless at 25°C. Thus based on the result it is concluded that the test substance has a moderate sorption to soil and sediment and therefore has slow migration potential to ground water.