[No public or meaningful name is available]

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20 Oct 2017 - 14 Mar 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to same study

Reference

Endpoint:

explosive properties of explosives

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

20 Oct 2017 - 14 Mar 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

EU Method A.14 (Explosive properties)

Version / remarks:

March 04, 2016

Deviations:

yes

Remarks:

see "Any other information on materials and methods incl. tables"

Qualifier:

according to guideline

Guideline:

UN Manual of Tests and Criteria: Part I: Classification procedures, test methods and criteria relating to explosives of Class 1

Version / remarks:

2015

Deviations:

yes

Remarks:

see "Any other information on materials and methods incl. tables"

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.6316 (Explodability)

Version / remarks:

August 1996

Deviations:

yes

Remarks:

see "Any other information on materials and methods incl. tables"

GLP compliance:

yes

Results

With the experiments, an exothermic decomposition effect followed by a sharp endothermic peak starting at 400 °C was observed. The extrapolated onset temperature of the effect in the first experiment was 433.831 °C. With the second experiment an onset temperature of 431.827 °C was obtained. The exothermic decomposition energy was 50.159 J/g in the first experiment and 11.213 J/g in the second test.

Since the difference between the exothermic decomposition energy was high, a third experiment was performed. The extrapolated onset temperature of the effect in the third experiment was 428.285 °C and the exothermic decomposition energy was 36.670 J/g.

An exothermic deviation of the baseline was observed starting from 450 °C. The exothermic decomposition energy and extrapolated onset temperature could not be determined, since the peak was ongoing after 550 °C.

After the experiments, a brown molten residue remained at the bottom of the sample container. The sample container had expanded. It indicated reaction and/or decomposition of the test item during the test.

 

Conclusion

Exothermic decomposition of the test item was observed at a temperature of 431.3 °C. The exothermic decomposition energy was 32.7 J/g. According to this it was considered that the test item had no explosive properties.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

April 13, 2004

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Version / remarks:

August 1996

Deviations:

no

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Fatty acids, vegetable-oil, polymd., esters with 1,2-hexadecanediol

Cas Number:

68910-99-6

Molecular formula:

Not applicable (i.e., UVCB substance)

IUPAC Name:

Fatty acids, vegetable-oil, polymd., esters with 1,2-hexadecanediol

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

> 7.2

Temp.:

35 °C

pH:

ca. 7

Remarks on result:

other: The retention time of the test item was higher than those of the reference substances (benzo[ghi]perylene, log Pow 7.2).

Any other information on results incl. tables

In the chromatogram of the test item solutions, several peaks with retention times of 31.136 - 31.864 minutes were observed. Under the same analytical conditions, the retention times of 4,4’-DDT (log P_OW = 6.5) and benzo[ghi]perylene (log P_OW = 7.2) were respectively 11.592 and 18.862 minutes. It was concluded that the log P_OW of test item was > 7.2.

 

Substance	Retention time, 1 (min)	Retention time, 2 (min)	Retention time, 3 (min)	Retention time, mean (min)	log POW	POW	Peak area (%)
4,4’-DDT	11.670	11.514		11.592	6.5
Benzo[ghi]perylene	18.862	18.862		18.862	7.2
Test item - peak 1	31.169	31.146	31.137	31.151	>7.2	>1.6E7	34
Test item - peak 2	31.246	31.215	31.215	31.225	>7.2	>1.6E7	39
Test item - peak 3	31.692	31.665	31.662	31.673	>7.2	>1.6E7	21
Test item - peak 4	31.882	31.864	31.864	31.870	>7.2	>1.6E7	5.8