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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Identification

Chemical structure
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 open all close all

  • 5281-04-9
  • 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) open all close all

    State Form:
    solid: nanoform


    Constituent 1
    Chemical structure
    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 descriptionopen allclose all
    Shape category:
    platelet
    Shape:
    plate
    Pure shape:
    no
    Typical composition:
    ca. 30 %
    Range:
    > 1 - <= 100 %
    Shape category:
    spheroidal
    Shape:
    spherical
    Pure shape:
    no
    Typical composition:
    ca. 30 %
    Range:
    > 1 - <= 100 %
    Shape category:
    elongated
    Shape:
    rod
    Pure shape:
    no
    Typical composition:
    ca. 30 %
    Range:
    > 1 - <= 100 %

    Particle size distribution and range

    Particle size distribution and rangeopen allclose all
    Shape category:
    elongated
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    ca. 30 nm
    Range:
    > 1 - < 60 nm
    Percentile:
    D50
    Typical value:
    ca. 70 nm
    Range:
    > 10 - < 100 nm
    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 %
    Shape category:
    platelet
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    ca. 5 nm
    Range:
    > 1 - < 40 nm
    Percentile:
    D50
    Typical value:
    ca. 10 nm
    Range:
    > 10 - < 100 nm
    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 %
    Shape category:
    spheroidal
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    ca. 30 nm
    Range:
    > 1 - < 60 nm
    Percentile:
    D50
    Typical value:
    ca. 70 nm
    Range:
    > 10 - < 100 nm
    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) open all close all

    State Form:
    solid: nanoform


    Constituent 1
    Chemical structure
    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
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    ca. 5 nm
    Range:
    > 1 - < 40 nm
    Percentile:
    D50
    Typical value:
    ca. 10 nm
    Range:
    > 1 - < 100 nm
    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
    State Form:
    solid: nanoform


    Constituent 1
    Chemical structure
    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 descriptionopen allclose all
    Shape category:
    platelet
    Shape:
    plate
    Pure shape:
    no
    Typical composition:
    ca. 90 %
    Range:
    >= 0 - <= 100 %
    Shape category:
    spheroidal
    Shape:
    cubic
    Pure shape:
    no
    Typical composition:
    ca. 10 %
    Range:
    >= 0 - <= 100 %

    Particle size distribution and range

    Particle size distribution and rangeopen allclose all
    Shape category:
    platelet
    Remarks:
    /elongated
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    8.8 nm
    Range:
    >= 1.8 - <= 15.8 nm
    Percentile:
    D50
    Typical value:
    13.5 nm
    Range:
    >= 6 - <= 20 nm
    Percentile:
    D90
    Typical value:
    22.9 nm
    Range:
    >= 15.9 - <= 29.9 nm
    Percentile:
    D10
    Typical value:
    27.2 nm
    Range:
    >= 11 - <= 43.4 nm
    Percentile:
    D50
    Typical value:
    43.5 nm
    Range:
    >= 27.3 - <= 59.7 nm
    Percentile:
    D90
    Typical value:
    66.7 nm
    Range:
    >= 50.5 - <= 82.9 nm
    Percentile:
    D10
    Typical value:
    42.5 nm
    Range:
    >= 5.9 - <= 79.1 nm
    Percentile:
    D50
    Typical value:
    79.1 nm
    Range:
    >= 42.5 - <= 115.6 nm
    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 %
    Shape category:
    spheroidal
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    8.8 nm
    Range:
    >= 1.8 - <= 15.8 nm
    Percentile:
    D50
    Typical value:
    13.5 nm
    Range:
    >= 6 - <= 20 nm
    Percentile:
    D90
    Typical value:
    22.9 nm
    Range:
    >= 15.9 - <= 29.9 nm
    Percentile:
    D10
    Typical value:
    27.2 nm
    Range:
    >= 11 - <= 43.4 nm
    Percentile:
    D50
    Typical value:
    43.5 nm
    Range:
    >= 27.3 - <= 59.7 nm
    Percentile:
    D90
    Typical value:
    66.7 nm
    Range:
    >= 50.5 - <= 82.9 nm
    Percentile:
    D10
    Typical value:
    42.5 nm
    Range:
    >= 5.9 - <= 79.1 nm
    Percentile:
    D50
    Typical value:
    79.1 nm
    Range:
    >= 42.5 - <= 115.6 nm
    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
    State Form:
    solid: nanoform


    Constituent 1
    Chemical structure
    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
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    ca. 20.87 nm
    Range:
    > 1 - < 25 nm
    Percentile:
    D50
    Typical value:
    ca. 28.35 nm
    Range:
    > 25 - < 35 nm
    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
    State Form:
    solid: nanoform


    Constituent 1
    Chemical structure
    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
    Percentileopen allclose all
    Percentile:
    D10
    Typical value:
    ca. 30 nm
    Range:
    >= 10 - <= 50 nm
    Percentile:
    D50
    Typical value:
    ca. 70 nm
    Range:
    >= 50 - <= 90 nm
    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
    State Form:
    solid: nanoform
    Degree of purity:
    > 96 - <= 100 % (w/w)


    Constituent 1
    Chemical structure
    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