1-Propanaminium, N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-3-sulfo-, N-(C12-18(even numbered) acyl) derivs., hydroxides, inner salts

Oxidising properties

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

oxidising liquids

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 04 December 2012 to 15 February 2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

UN Manual of Tests and Criteria: Test O.2 (Test for oxidizing liquids)

Deviations:

yes

Remarks:

The mean pressure rise time for sodium chlorate/cellulose mixture recorded was slower than expected . As the mean pressure rise time of test item/cellulose was even slower, this deviation was not considered to have affected the results.

Qualifier:

according to guideline

Guideline:

UN Manual of Tests and Criteria: Test O.2 (Test for oxidizing liquids)

Deviations:

yes

Remarks:

The 0.3-mm thickness of the aluminium bursting disk differed from the one prescribed by the guideline. This deviation was not considered to have affected the results.

GLP compliance:

yes (incl. QA statement)

Remarks:

2010-12-15

Contact with:

powdered cellulose

Sample tested:

reference mixture with 50% perchloric acid + cellulose (1:1 ratio)

Parameter:

mean pressure rise time

Result:

52 ms

Sample tested:

reference mixture with 40% aqueous sodium chlorate + cellulose (1:1 ratio)

Parameter:

mean pressure rise time

Result:

12 164 ms

Sample tested:

reference mixture with 65% nitric acid + cellulose (1:1 ratio)

Parameter:

mean pressure rise time

Result:

3 486 ms

Key result

Sample tested:

test mixture 1:1

Parameter:

mean pressure rise time

Result:

23 700 ms

Results

Preparation of the fibrous cellulose

Drying time                           1 day, 16 hours and 50 min

Drying temperature              Between 101.0 and(mean)

 

Mixtures with reference item / cellulose

With 50% perchloric acid aqueous solution as reference item

Assay No.	Reference item mass(g)	Cellulose mass (g)	Atmospheric pressure(kPa)	Corrected pressure rise time(ms)	Mean corrected pressure rise time(ms)	Theorical calculated min and max accepted value: ± 30% of the mean pressure rise time(ms)
1	2.50	2.50	98.6	53	52	[36 ; 68]
4	2.50	2.50	98.6	62
6	2.50	2.50	98.6	45
7	2.49	2.50	98.6	52
10	2.50	2.50	97.6	46

Remark: Five other assays were performed, but due to the speed of the reaction, some values were missing for the calculation of the pressure rise time.

 

With 40% sodium chlorate aqueous solution as reference item

 First series:

Assay No.	Reference item mass(g)	Cellulose mass (g)	Atmospheric pressure(kPa)	Corrected pressure rise time(ms)	Mean corrected pressure rise time(ms)	Theorical calculated min and max accepted value: ± 30% of the mean pressure rise time(ms)
2	2.50	2.50	98.5	9986	13665	[9565 ;]
3	2.50	2.50	98.5	15417
4	2.50	2.50	98.5	13870
5	2.50	2.50	98.4	16280
7	2.50	2.50	97.6	12771

Remark: Two other assays were performed but one was not taken into account as it did not comply with the quality criteria and the other one did not rise P_atm+ 2070 kPa.

The results were not, as expected around 2500 ms, between the mean pressure rise time of the aqueous nitric acid / cellulose mixture and that of the perchloric acid / cellulose mixture. Another series was performed with sodium chlorate of another provider. This first series was not taken into account.

Second series:

Assay No.	Reference item mass(g)	Cellulose mass (g)	Atmospheric pressure(kPa)	Corrected pressure rise time(ms)	Mean corrected pressure rise time(ms)	Theorical calculated min and max accepted value: ± 30% of the mean pressure rise time(ms)
1	2.50	2.50	98.8	9129	12164	[8515 ; 15813]
2	2.50	2.50	98.8	10617
3	2.50	2.50	98.8	12378
4	2.50	2.50	98.8	14863
5	2.50	2.50	98.8	13831

 

The results of the second series were slightly lower than the results of the first series, but they were not around 2500 ms as indicated in the standard procedure.This second series was taken into account.

 

With 65% nitric acid aqueous solution reference item

Assay No.	Reference item mass(g)	Cellulose mass (g)	Atmospheric pressure(kPa)	Corrected pressure rise time(ms)	Mean corrected pressure rise time(ms)	Theorical calculated min and max accepted value: ± 30% of the mean pressure rise time(ms)
1	2.50	2.50	98.3	4338	3486	[2440 ; 4532]
2	2.51	2.50	98.3	3485
4	2.50	2.50	98.3	4062
5	2.50	2.50	97.4	2815
6	2.51	2.50	97.4	2728

 Remark: Another assay was performed but it was not taken into account as it did not comply with the quality criteria.

 

Mixtures with test item / cellulose

Assay No.	Test item mass (g)	Cellulose mass (g)	Atmospheric pressure(kPa)	Corrected pressure rise time(ms)	Mean corrected pressure rise time(ms)	Theorical calculated min and max accepted value: ± 30% of the mean pressure rise time(ms)
1	2.49	2.50	97.6	23301	23700	[16590 ; 30810]
2	2.51	2.50	97.6	21758
3	2.50	2.50	97.6	23249
5	2.50	2.50	97.6	24782
8	2.50	2.50	97.6	25411

 Remark: Three other assays were performed but were not taken into account as they did not comply with the quality criteria.

The mean pressure rise time obtained with the test item / cellulose mixture was slower than the mean pressure rise time obtained with the three mixtures of reference item / cellulose.

 

The test item was not classified as an oxidizing liquid of Division 5.1 and thus was not assigned to any packing group,under the experimental conditions used.

Interpretation of results:

GHS criteria not met

Conclusions:

The mean pressure rise time obtained with the test item / cellulose mixture was slower than the mean pressure rise time obtained with the three mixtures of reference item / cellulose.
 
The test item was not classified as an oxidizing liquid of Division 5.1 and thus was not assigned to any packing group, under the experimental conditions used.

Executive summary:

The oxidizing properties of the test item (= substance EC 939-455-3 in aqueous commercial product) were investigated in a GLP-compliant study performed in accordance with UN Manual of Tests and Criteria: Test O.2 (Test for oxidizing liquids). The mean pressure rise time obtained with the test item / cellulose mixture was slower than the mean pressure rise time obtained with the mixtures of reference item / cellulose. The test item was not classified as an oxidizing liquid of Division 5.1 and thus was not assigned to any packing group, under the experimental conditions used.

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

Reference 2

Endpoint:

oxidising 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 for cross-reference:

read-across source

Sample tested:

reference mixture with 50% perchloric acid + cellulose (1:1 ratio)

Parameter:

mean pressure rise time

Result:

52 ms

Sample tested:

reference mixture with 40% aqueous sodium chlorate + cellulose (1:1 ratio)

Parameter:

mean pressure rise time

Result:

12 164 ms

Sample tested:

reference mixture with 65% nitric acid + cellulose (1:1 ratio)

Parameter:

mean pressure rise time

Result:

3 486 ms

Key result

Sample tested:

test mixture 1:1

Parameter:

mean pressure rise time

Result:

23 700 ms

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, 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, was not classified as an oxidizing liquid of Division 5.1 and thus was not assigned to any packing group.

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 oxidising properties of the substance EC 939-457-4 in aqueous solution have not been investigated experimentally, a read-across approach was followed to fill in the endpoint. The oxidising properties of a structural analogue substance (= source substance EC 939-455-3) in aqueous solution were investigated in a GLP-compliant study (Demangel, 2013) performed in accordance with UN Manual of Tests and Criteria: Test O.2 (Test for oxidizing liquids). The mean pressure rise time obtained with the analogue substance / cellulose mixture was slower than the mean pressure rise time obtained with the mixtures of reference item / cellulose. The analogue substance (in aqueous solution) was not classified as an oxidizing liquid of Division 5.1 and thus was not assigned to any packing group, under the experimental conditions used. By analogy, 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, was not classified as an oxidizing liquid of Division 5.1 and thus was not assigned to any packing group.

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

Oxidising properties:

no

Justification for classification or non-classification

The oxidising properties of the structural analogue substance (= source substance EC 939-455-3) in aqueous solution were investigated in a GLP-compliant study (Demangel, 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.