Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

Substance identity

Identification

Display Name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

EC Number:

226-109-5

EC Name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

CAS Number:

5281-04-9

Molecular formula:

C18H14N2O6S.Ca

IUPAC Name:

calcium 3-hydroxy-4-[(1E)-2-(4-methyl-2-sulfonatophenyl)diazen-1-yl]naphthalene-2-carboxylate

Type of Substance

Composition:

mono-constituent substance

Origin:

organic

Substance Identifiers

CAS number

5281-04-9

Trade name

C. I. Pigment Red 57:1

C.I. 15850:1

C.I. Pigment Red 57:1

D & C Red 7 (Lithol Rubine B, Ca Lake & Lithol Rubine B, Ca Salt)

LIONOL RED 6B 4240-P-

LIONOL RED 6B 4254-P-

LIONOL RED 6B FG-4306-G

LIONOL RED 7B FG-4403-S

PIGMENT RED 57:1

PR 57:1

Pigment Red 57, calcium salt (1:1)

Pigment Red 57:1

SEIKAFAST CARMINE 6B 1476T-7

SYMULER Brilliant Carmine 6B

Sudacolor Red 635

Versal Red 4BP

Versal Red F6RO

Versal Red F6RW

Versal Red F6RWB

Versalová červeň 4BP

Versalová červeň F6RO

Versalová červeň F6RW

Versalová červeň F6RWB

Compositions

Boundary Composition(s)

calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

Nanoform

State Form:

solid: nanoform

Constituent 1

Reference substance name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

EC Number:

226-109-5

EC Name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

CAS Number:

5281-04-9

Molecular formula:

C18H14N2O6S.Ca

IUPAC Name:

calcium 3-hydroxy-4-[(1E)-2-(4-methyl-2-sulfonatophenyl)diazen-1-yl]naphthalene-2-carboxylate

Characterisation of nanoforms

Type of information reported:

single nanoform

Name of nanoform:

Pigment Red 57:1_Nanoform_Multimodal

Shape

Shape description

Shape description 1

Shape category:

platelet

Shape:

plate

Pure shape:

no

Typical composition:

ca. 30 %

Range:

> 1 - <= 100 %

Shape description 2

Shape category:

spheroidal

Shape:

spherical

Pure shape:

no

Typical composition:

ca. 30 %

Range:

> 1 - <= 100 %

Shape description 3

Shape category:

elongated

Shape:

rod

Pure shape:

no

Typical composition:

ca. 30 %

Range:

> 1 - <= 100 %

Particle size distribution and range

Particle size distribution and range

Particle size distribution and range 1

Shape category:

elongated

Percentile

Percentile 1

Percentile:

D10

Typical value:

ca. 30 nm

Range:

> 1 - < 60 nm

Percentile 2

Percentile:

D50

Typical value:

ca. 70 nm

Range:

> 10 - < 100 nm

Percentile 3

Percentile:

D90

Typical value:

ca. 120 nm

Range:

> 60 - < 300 nm

Typical length:

ca. 250 nm

Range of length:

> 10 - < 500 nm

Typical aspect ratio (:1):

ca. 4 :1

Range of aspect ratio (:1):

>= 1 - <= 7

Fraction of constituent particles in the size range 1-100 nm:

> 80 - <= 100 %

Particle size distribution and range 2

Shape category:

platelet

Percentile

Percentile 1

Percentile:

D10

Typical value:

ca. 5 nm

Range:

> 1 - < 40 nm

Percentile 2

Percentile:

D50

Typical value:

ca. 10 nm

Range:

> 10 - < 100 nm

Percentile 3

Percentile:

D90

Typical value:

ca. 70 nm

Range:

> 40 - < 120 nm

Typical lateral dimension 1:

ca. 75 nm

Range of lateral dimension 1:

> 10 - < 200 nm

Typical lateral dimension 2:

ca. 278 nm

Range of lateral dimension 2:

> 100 - < 600 nm

Typical aspect ratio (:1):

ca. 4 :1

Range of aspect ratio (:1):

>= 1 - <= 5

Fraction of constituent particles in the size range 1-100 nm:

> 80 - <= 100 %

Particle size distribution and range 3

Shape category:

spheroidal

Percentile

Percentile 1

Percentile:

D10

Typical value:

ca. 30 nm

Range:

> 1 - < 60 nm

Percentile 2

Percentile:

D50

Typical value:

ca. 70 nm

Range:

> 10 - < 100 nm

Percentile 3

Percentile:

D90

Typical value:

ca. 120 nm

Range:

> 60 - < 300 nm

Fraction of constituent particles in the size range 1-100 nm:

> 80 - <= 100 %

Crystallinity

Structures

Structure:

crystalline

Name:

Pigment Red 57:1

Pure structure:

yes

Specific surface area

Typical specific surface area:

ca. 60 m²/g

Range of specific surface area:

> 15 - < 500 m²/g

Surface functionalisation / treatment

Surface treatment applied:

no

Legal Entity Composition(s)

calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

Nanoform

State Form:

solid: nanoform

Constituent 1

Reference substance name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

EC Number:

226-109-5

EC Name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

CAS Number:

5281-04-9

Molecular formula:

C18H14N2O6S.Ca

IUPAC Name:

calcium 3-hydroxy-4-[(1E)-2-(4-methyl-2-sulfonatophenyl)diazen-1-yl]naphthalene-2-carboxylate

Characterisation of nanoforms

Type of information reported:

single nanoform

Name of nanoform:

Pigment Red 57:1_Nanoform_Platelet

Shape

Shape description

Shape category:

platelet

Shape:

plate

Pure shape:

yes

Particle size distribution and range

Particle size distribution and range

Shape category:

platelet

Percentile

Percentile 1

Percentile:

D10

Typical value:

ca. 5 nm

Range:

> 1 - < 40 nm

Percentile 2

Percentile:

D50

Typical value:

ca. 10 nm

Range:

> 1 - < 100 nm

Percentile 3

Percentile:

D90

Typical value:

ca. 70 nm

Range:

> 10 - < 120 nm

Typical lateral dimension 1:

ca. 68 nm

Range of lateral dimension 1:

> 10 - < 190 nm

Typical lateral dimension 2:

ca. 128 nm

Range of lateral dimension 2:

> 40 - < 350 nm

Typical aspect ratio (:1):

ca. 1.8 :1

Range of aspect ratio (:1):

>= 1 - <= 5

Fraction of constituent particles in the size range 1-100 nm:

> 80 - <= 100 %

Crystallinity

Structures

Structure:

crystalline

Name:

Pigment Red 57:1

Pure structure:

yes

Specific surface area

Typical specific surface area:

ca. 58.9 m²/g

Range of specific surface area:

ca. 15 - < 200 m²/g

Surface functionalisation / treatment

Surface treatment applied:

no

Pigment Red 57:1

Nanoform

State Form:

solid: nanoform

Constituent 1

Reference substance name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

EC Number:

226-109-5

EC Name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

CAS Number:

5281-04-9

Molecular formula:

C18H14N2O6S.Ca

IUPAC Name:

calcium 3-hydroxy-4-[(1E)-2-(4-methyl-2-sulfonatophenyl)diazen-1-yl]naphthalene-2-carboxylate

Characterisation of nanoforms

Type of information reported:

single nanoform

This nanoform is covered by a registration:

no

Name of nanoform:

EC_226_109_5__Pigment_red_57_1

Shape

Shape description

Shape description 1

Shape category:

platelet

Shape:

plate

Pure shape:

no

Typical composition:

ca. 90 %

Range:

>= 0 - <= 100 %

Shape description 2

Shape category:

spheroidal

Shape:

cubic

Pure shape:

no

Typical composition:

ca. 10 %

Range:

>= 0 - <= 100 %

Particle size distribution and range

Particle size distribution and range

Particle size distribution and range 1

Shape category:

platelet

Remarks:

/elongated

Percentile

Percentile 1

Percentile:

D10

Typical value:

8.8 nm

Range:

>= 1.8 - <= 15.8 nm

Percentile 2

Percentile:

D50

Typical value:

13.5 nm

Range:

>= 6 - <= 20 nm

Percentile 3

Percentile:

D90

Typical value:

22.9 nm

Range:

>= 15.9 - <= 29.9 nm

Percentile 4

Percentile:

D10

Typical value:

27.2 nm

Range:

>= 11 - <= 43.4 nm

Percentile 5

Percentile:

D50

Typical value:

43.5 nm

Range:

>= 27.3 - <= 59.7 nm

Percentile 6

Percentile:

D90

Typical value:

66.7 nm

Range:

>= 50.5 - <= 82.9 nm

Percentile 7

Percentile:

D10

Typical value:

42.5 nm

Range:

>= 5.9 - <= 79.1 nm

Percentile 8

Percentile:

D50

Typical value:

79.1 nm

Range:

>= 42.5 - <= 115.6 nm

Percentile 9

Percentile:

D90

Typical value:

134.5 nm

Range:

>= 97.9 - <= 117.1 nm

Typical lateral dimension 1:

45.4 nm

Range of lateral dimension 1:

>= 29.2 - <= 61.6 nm

Typical lateral dimension 2:

84.5 nm

Range of lateral dimension 2:

>= 47.9 - <= 121.1 nm

Typical aspect ratio (:1):

ca. 6

Range of aspect ratio (:1):

>= 3.36 - <= 8.86

Additional information:

No shape-specific evaluation has been conducted on the individual particle shapes. Hence, the reported average particle sizes cover all shape categories.

The test item occurs mainly as platelets (ca. 90%). However, at a first glance it seems to consist of elongate rods, too. After in-depth investigation the laboratory concluded that the particles, which seem to be rods are differently oriented platelets.
Explanation: Since STEM only provides a two-dimensional projection of a particles, platelets which are oriented with their thin side towards the electron beam look like rods (see Report No. 20210521_RRR_NN_23, Rosenefeldt, R., 2021, nEcotox, p.15-17).

The laboratory identified supporting results on this hypothesis.
- The “rod-like” structures show a high contrast, which indicate the presence of a thicker material. This can only be explained by the orientation of the particle.
- The measurement of 254 additional platelets showed the same length like the “rod-like” structures, namely 79.26±33.00 nm (mean±SD). The statistical comparison of two sample groups displayed no statistically significant difference.
- Additional HR-SEM images support this as well

Supporting analytical data can be provided in Section 1.4 of the IUCLID dossier.

In contrast to the boundary composition, no elongated particles have been identified due to the above-mentioned reasons.

The aspect ratio and the particle length of the Co-registrant are not within the boundary composition. However, taking the boundary composition of elongated particles into consideration, the aspect ratio, and the particle length are covered.

Assigning particles as being 'elongated' or 'platelets', does not increase the overall hazard of a nanomaterial. The hazard assessment, exposure assessment and risk assessment of the nanoforms is still covered with the 'maximum values' of the boundary composition. The variation of particle length and subsequently the aspect ratio are linked to the hazards arising from long and thin rods. Although the particles are assigned formally as platelets the hazard linked to elongated particles is covered since the boundary composition of elongated particles is met.

Fraction of constituent particles in the size range 1-100 nm:

>= 80 - <= 100 %

Particle size distribution and range 2

Shape category:

spheroidal

Percentile

Percentile 1

Percentile:

D10

Typical value:

8.8 nm

Range:

>= 1.8 - <= 15.8 nm

Percentile 2

Percentile:

D50

Typical value:

13.5 nm

Range:

>= 6 - <= 20 nm

Percentile 3

Percentile:

D90

Typical value:

22.9 nm

Range:

>= 15.9 - <= 29.9 nm

Percentile 4

Percentile:

D10

Typical value:

27.2 nm

Range:

>= 11 - <= 43.4 nm

Percentile 5

Percentile:

D50

Typical value:

43.5 nm

Range:

>= 27.3 - <= 59.7 nm

Percentile 6

Percentile:

D90

Typical value:

66.7 nm

Range:

>= 50.5 - <= 82.9 nm

Percentile 7

Percentile:

D10

Typical value:

42.5 nm

Range:

>= 5.9 - <= 79.1 nm

Percentile 8

Percentile:

D50

Typical value:

79.1 nm

Range:

>= 42.5 - <= 115.6 nm

Percentile 9

Percentile:

D90

Typical value:

134.5 nm

Range:

>= 97.9 - <= 117.1 nm

Additional information:

No shape-specific evaluation has been conducted on the individual particle shapes. Hence, the reported average particle sizes cover all shape categories.
Nevertheless, the average particle size distribution (based on particle width), is within the boundary composition limits for the cubic shape category. Hence an individual evaluation of spherical particle size distribution is not considered necessary.

Based on the aspect ratio 10% of the particles are spheroidal shaped (cubes, aspect ratio <3:1).

Supporting analytical data are provided in Section 1.4 of the IUCLID dossier.

Fraction of constituent particles in the size range 1-100 nm:

>= 80 - <= 100 %

Crystallinity

Structures

Structure:

amorphous

Name:

calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

Pure structure:

yes

Specific surface area

Typical specific surface area:

74 m²/g

Range of specific surface area:

>= 15 - <= 500 m²/g

Surface functionalisation / treatment

Surface treatment applied:

no

calcium 3-hydroxy-4-[(1E)-2-(4-methyl-2-sulfonatophenyl)diazen-1-yl]naphthalene-2-carboxylate

Nanoform

State Form:

solid: nanoform

Constituent 1

Reference substance name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

EC Number:

226-109-5

EC Name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

CAS Number:

5281-04-9

Molecular formula:

C18H14N2O6S.Ca

IUPAC Name:

calcium 3-hydroxy-4-[(1E)-2-(4-methyl-2-sulfonatophenyl)diazen-1-yl]naphthalene-2-carboxylate

Characterisation of nanoforms

Type of information reported:

single nanoform

Name of nanoform:

Pigment Red 57:1_Nanoform

Shape

Shape description

Shape category:

spheroidal

Shape:

spherical

Pure shape:

yes

Typical composition:

ca. 100 %

Range:

>= 90 - <= 100 %

Particle size distribution and range

Particle size distribution and range

Shape category:

spheroidal

Percentile

Percentile 1

Percentile:

D10

Typical value:

ca. 20.87 nm

Range:

> 1 - < 25 nm

Percentile 2

Percentile:

D50

Typical value:

ca. 28.35 nm

Range:

> 25 - < 35 nm

Percentile 3

Percentile:

D90

Typical value:

ca. 39.83 nm

Range:

> 35 - < 60 nm

Fraction of constituent particles in the size range 1-100 nm:

>= 90 - <= 100 %

Crystallinity

Structures

Structure:

crystalline

Name:

Pigment Red 57:1_Nanoform

Pure structure:

yes

Typical composition:

ca. 78.2 %

Range:

> 75 - < 85 %

Specific surface area

Typical specific surface area:

ca. 2.551 m²/g

Range of specific surface area:

> 1 - < 10 m²/g

Surface functionalisation / treatment

Surface treatment applied:

no

Pigment Red 57:1

Nanoform

State Form:

solid: nanoform

Constituent 1

Reference substance name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

EC Number:

226-109-5

EC Name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

CAS Number:

5281-04-9

Molecular formula:

C18H14N2O6S.Ca

IUPAC Name:

calcium 3-hydroxy-4-[(1E)-2-(4-methyl-2-sulfonatophenyl)diazen-1-yl]naphthalene-2-carboxylate

Characterisation of nanoforms

Type of information reported:

single nanoform

Name of nanoform:

C. I. Pigment Red 57:1

Shape

Shape description

Shape category:

platelet

Shape:

plate

Pure shape:

yes

Typical composition:

> 99 %

Range:

> 98 - <= 100 %

Particle size distribution and range

Particle size distribution and range

Shape category:

platelet

Percentile

Percentile 1

Percentile:

D10

Typical value:

ca. 30 nm

Range:

>= 10 - <= 50 nm

Percentile 2

Percentile:

D50

Typical value:

ca. 70 nm

Range:

>= 50 - <= 90 nm

Percentile 3

Percentile:

D90

Typical value:

ca. 150 nm

Range:

>= 110 - <= 170 nm

Typical lateral dimension 1:

ca. 50 nm

Range of lateral dimension 1:

>= 10 - <= 500 nm

Typical lateral dimension 2:

ca. 50 nm

Range of lateral dimension 2:

>= 10 - <= 500 nm

Typical aspect ratio (:1):

< 5 :1

Range of aspect ratio (:1):

>= 1 - <= 10

Fraction of constituent particles in the size range 1-100 nm:

>= 80 - <= 100 %

Crystallinity

Structures

Structure:

crystalline

Name:

C. I. Pigment Red 57:1

Pure structure:

yes

Typical composition:

>= 99 %

Range:

>= 98 - <= 100 %

Crystal system:

not applicable

Specific surface area

Typical specific surface area:

ca. 65 m²/g

Range of specific surface area:

>= 15 - <= 500 m²/g

Surface functionalisation / treatment

Surface treatment applied:

no

PR57:1

Impurity

Nanoform

State Form:

solid: nanoform

Degree of purity:

> 96 - <= 100 % (w/w)

Constituent 1

Reference substance name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

EC Number:

226-109-5

EC Name:

Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

CAS Number:

5281-04-9

Molecular formula:

C18H14N2O6S.Ca

IUPAC Name:

calcium 3-hydroxy-4-[(1E)-2-(4-methyl-2-sulfonatophenyl)diazen-1-yl]naphthalene-2-carboxylate