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

Density

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

relative density

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 16 May 2012 to 25 January 2013

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:

OECD Guideline 109 (Density of Liquids and Solids)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.3 (Relative Density)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

2012-12-15

Type of method:

air comparison pycnometer (for solids)

Key result

Type:

relative density

Density:

1.22 other: dimensionless

Temp.:

20 °C

Results Assay No. 1

Test item sample weight (ME) 20.0055 g

Reference volume (VA) 79.330 cm³

Temperature during the assay 20.0 °C

Data P2	P2 (PSIG)	P3 (PSIG)	VP (cm^3)	Density (g/cm^3)	Relative density	Mean relative density
Run No. 1	17.003	10.736	16.3267	1.2253	1.2253	1.223 ± 0.001
Run No. 2	17.003	10.735	16.3611	1.2227	1.2227
Run No. 3	17.001	10.734	16.3521	1.2234	1.2234
Run No. 4	17.001	10.733	16.3864	1.2209	1.2209
Run No. 5	17.000	10.733	16.3647	1.2225	1.2225

Remark: The runs No. 1 and 4 were not taken into account, they were not complying the quality criteria.

Reuslts Assay No. 2

Test item sample weight (ME) 20.7138 g

Reference volume (VA) 79.330 cm³

Temperature during the assay 20 °C

Data P2	P2 (PSIG)	P3 (PSIG)	VP (cm^3)	Density (g/cm^3)	Relative density	Mean relative density
Run No. 1	17.000	10.714	17.0152	1.2174	1.2174	1.217 ± 0.001
Run No. 2	17.003	10.722	16.8065	1.2325	1.2325
Run No. 3	17.003	10.720	16.8748	1.2275	1.2275
Run No. 4	17.000	10.714	17.0152	1.2174	1.2174
Run No. 5	17.002	10.717	16.9558	1.2216	1.2216
Run No. 6	17.000	10.713	17.0493	1.2149	1.2149
Run No. 7	17.000	10.710	17.1516	1.2077	1.2077
Run No. 8	17.000	10.714	17.0152	1.2174	1.2174

Remark: The runs No. 2, 3, 5, 6 and 7 were not taken into account, they were not complying the quality criteria.

Conclusions:

The relative density mean value of the test item using the gas comparison method with the stereopycnometer was 1.220 ± 0.003.

Executive summary:

The relative density of the test item (= substance EC 939-455-3) was investigated in a GLP-compliant study performed in accordance with OECD Guideline 109 (Density of Liquids and Solids) and EU Method A.3 (Relative Density). The mean relative density of the test item using the gas comparison method was 1.220 ± 0.003.

Reference 2

Endpoint:

relative density

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

Key result

Type:

relative density

Density:

1.22 other: dimensionless

Temp.:

20 °C

Remarks on result:

other: read-across from EC 939-455-3

Conclusions:

By analogy with the source substance EC 939-455-3, a relative density of 1.220 ± 0.003 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).

Description of key information

As the relative density of the substance EC 939-457-4 has not been determined experimentally, a read-across approach was followed to fill in the endpoint. The relative density of a structural analogue substance (= source substance EC 939-455-3) was investigated in a GLP-compliant study (Ricau, 2013) performed in accordance with OECD Guideline 109 (Density of Liquids and Solids) and EU Method A.3 (Relative Density). The mean relative density of the analogue substance was 1.220 ± 0.003. By analogy, a mean relative density of 1.220 ± 0.003 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).

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

Relative density at 20C:

1.22

Additional information

The relative density of the structural analogue substance (= source substance EC 939-455-3) was investigated in a GLP-compliant study (Ricau, 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.