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Auto flammability

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Endpoint:
auto-ignition temperature (liquids)
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 16 May 2012 to 06 December 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The study was conducted according to internationally recognised guidelines, and under GLP. No deviation affected the quality of the study. The study was performed on the commercial product (aqueous solution) as the test item is manufactured and used in a liquid form.
Reason / purpose:
reference to same study
Qualifier:
according to
Guideline:
EU Method A.15 (Auto-Ignition Temperature (Liquids and Gases))
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
2010-12-15
Key result
Auto-ignition temperature:
>= 434 - <= 442 °C
Atm. press.:
>= 97.6 - <= 98.2 kPa

Results of the preliminary test:

Volume of test item injected in the oven     70 µL

 

Temperature
of the assay
(°C)

Self-ignition

Maximal temperature of the air recorded in the center of the test flask after self-ignition(°C)

Atmospheric pressure
(kPa)

Relative humidity
(%)

Assay No.

Observed

Corrected

Y / N

Lag(s)

Observed

Corrected

1

103

103

No

/

/

/

98.3

66

2

148

148

No

/

/

/

98.3

65

3

198

198

No

/

/

/

98.4

66

4

251

251

No

/

/

/

98.3

63

5

300

300

No

/

/

/

98.3

62

6

351

351

No

/

/

/

98.4

61

7

403

403

No

/

/

/

98.4

68

8

450

450

Yes

21

459

459

98.3

64

9

427

427

No

/

/

/

98.3

57

10

439

439

Yes

25

449

449

98.3

55

11

435

435

No

/

/

/

98.2

51

The self ignition temperature was between 435 and 439 °C(corrected temperatures).

Results of the main test:

Volume of test item injected in the oven                              70µL

Only the self ignition runs for each assay are summarized in the following table:

 

Self-ignition temperature(°C)

Self-ignition

Maximal temperature of the air recorded in the center of the test flask after self-ignition(°C)

Atmospheric pressure
(kPa)

Relative humidity
(%)

Assay No.

Observed

Corrected

Lag(s)

Observed

Corrected

1

438

438

18

469

469

98.2

48

2

437

437

36

451

451

98.1

48

3

438

438

26

450

450

97.8

64

4

438

438

22

443

443

97.8

63

5

439

439

23

445

445

97.6

57

Conclusions:
The mean auto-ignition temperature of the test item was 438 ± 4 °C (corrected temperature).
Executive summary:

The auto-ignition temperature of the test item (= substance EC 939-455-3 in aqueous commercial product) was investigated in a GLP-compliant study performed in accordance with EU Method A.15 (Auto-Ignition Temperature (Liquids and Gases)). The mean auto-ignition temperature of the test item was 438 ± 4 °C.

The study was performed on a commercial product (aqueous solution) as thesubstance EC 939-455-3 is manufactured and used in a liquid form.

The self-ignition temperature of the test item was determined according to Method A.15 of Commission Regulation (EC) N°440/2008 of 30 May 2008 and GLP. No deviation of the guidelines was observed during the test. Before the experimentation, the accuracy of the apparatus was assessed with a reference item. Based on the result obtained with the reference item, the apparatus was considered acceptable for use. The test is repeated at different temperatures (from about 100 to about 600 °C) with suitable sampling volumes(70 µL for this study)until the minimum value of the ignition temperature is observed. The mean self-ignition temperature of the test item was 438 ± 4 °C (corrected temperature).

Endpoint:
auto-ignition temperature (liquids)
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
C8-C18 AAPHS and C12-18 AAPHS have the same functional groups, and general composition. The main variable resides in the alkyl chain distribution.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Source chemical = C8-18 cocamidopropyl hydroxysultaine (EC 939-455-3).
Target chemical = C12-18 cocamidopropyl hydroxysultaine (EC 939-457-4).

3. ANALOGUE APPROACH JUSTIFICATION
The alkyl C-chain distribution of the source chemical significantly overlaps with the one of the target chemical, the C12-alkyl derivative being the major constituent in both chemicals. The structural differences in side C-chains is not expected to lead to significant differences on phys-chem properties.

4. DATA MATRIX
See "Documentation and scientific justification of the read-across approach" in section 13.2.
Reason / purpose:
read-across source
Key result
Auto-ignition temperature:
>= 434 - <= 442 °C
Atm. press.:
>= 97.6 - <= 98.2 kPa
Remarks on result:
other: read-across from EC 939-455-3 in aqueous solution
Conclusions:
By analogy with the source substance EC 939-455-3 in aqueous solution, an auto-ignition temperature of 438 ± 4°C was reported for the target substance 1-Propanaminium, N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-3-sulfo-, N-(C12-18(even numbered) acyl) derivs., hydroxides, inner salts (EC 939-457-4) in aqueous solution, at a similar concentration range.

The source and target substances are both manufactured and used in a liquid form (aqueous solutions at a similar contentration range). The security physico-chemical parameters were therefore assessed from tests performed on aqueous solutions.

Description of key information

The substance EC 939-457-4 is manufactured and used in a liquid form (aqueous solutions). The security physico-chemical parameters were therefore assessed from tests performed on aqueous solutions.

As the auto-ignition temperature of the substance EC 939-457-4 in aqueous solution have not been determined experimentally, a read-across approach was followed to fill in the endpoint. The auto-ignition temperature of a structural analogue substance (= source substance EC 939-455-3) in aqueous solution was investigated in a GLP-compliant study (Colombies, 2013) performed in accordance with EU Method A.15 (Auto-Ignition Temperature (Liquids and Gases)). The mean auto-ignition temperature of the analogue substance was 438 ± 4 °C. By analogy, an auto-ignition temperature of 438 ± 4 °C was reported for the target substance 1-Propanaminium, N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-3-sulfo-, N-(C12-18(even numbered) acyl) derivs., hydroxides, inner salts (EC 939-457-4) in aqueous solution, at a similar concentration range).

The alkyl C-chain distribution of the source substance EC 939-455-3 significantly overlaps with the one of the target substance EC 939-457-7, the C12-alkyl derivative being the major constituent in both chemicals. The structural differences in side C-chains is not expected to lead to significant differences on phys-chem properties.

Key value for chemical safety assessment

Autoflammability / Self-ignition temperature at 101 325 Pa:
438 °C

Additional information

The auto-ignition temperature of the structural analogue substance (= source substance EC 939-455-3) in aqueous solution was investigated in a GLP-compliant study (Colombies, 2013) performed in accordance with standard methods, without deviations. The study is considered as reliable (Klimisch 1) and was selected as key study for the endpoint of the target substance EC 939-457-4 in aqueous solution.