2-Naphthalenecarboxylic acid, 3-hydroxy-4-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1)

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  • Identifiers

    CAS number
    5281-04-9

    Molecular formula
    C18H12CaN2O6S

    SMILES
    CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-])S(=O)(=O)[O-].[Ca+2]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.56%
    Grape 26.31%
    Bitter 23.89%
    Cooked 21.29%
    Fruity 20.76%
    Savory 17.91%
    Milky 16.27%
    Burnt 15.8%
    Neroli 15.68%
    Fatty 15.13%

     

    Flavor
    Bitter 86.91%
    Odorless 39.98%
    Bland 21.5%
    Nitrile 21.28%
    Mild 20.46%
    Very strong 19.42%
    Indole 19.16%
    Bread crust 19.12%
    Taco 19.06%
    Sweet-like 18.74%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    2.89 (strong acid)

    Molecular weight
    424.4 g/mol

    Flash point

    • 246.2 ˚C est.

  • Synonyms

    • Calcium 3-hydroxy-4-((4-methyl-2-sulphonatophenyl)azo)-2-naphthoate
    • 2-Naphthalenecarboxylic acid, 3-hydroxy-4-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1)
    • calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate
    • 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-, calcium salt (1:1)
    • RefChem:476607
    • 5281-04-9
    • Lithol Rubin BCA
    • D&C Red No. 7
    • Brilliant Carmine 6B
    • Lithol Rubine BK
    • ECW0LZ41X8
    • DTXSID7027594
    • Calcium 3-hydroxy-4-((4-methyl-2-sulfonatophenyl)diazenyl)-2-naphthoate
    • red 7
    • C.I. 15850:1
    • Calcium 3-hydroxy-4-(4-methyl-2-sulphonatophenyl)azo-2-naphthoate
    • Lithol rubin B ca
    • 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(2-(4-methyl-2-sulfophenyl)diazenyl)-, calcium salt (1:1)
    • MFCD00059529
    • D & C Red no. 7
    • CCRIS 4903
    • CI 15850:1 (Ca salt)
    • EINECS 226-109-5
    • LITHOLRUBINE
    • D&C Red 7
    • UNII-ECW0LZ41X8
    • DC RED NO. 7
    • SCHEMBL341670
    • AKA202
    • orb2565498
    • SCHEMBL3184572
    • CHEMBL2028348
    • D&C RED 7 CALCIUM LAKE
    • DTXCID4065236
    • SCHEMBL29351807
    • SCHEMBL29687087
    • SCHEMBL29771450
    • DTXSID30967273
    • D&C RED NO. 7 [II]
    • DTXSID201045895
    • LITHOL RUBINE BK [USP-RS]
    • DC RED NO. 7-CALCIUM LAKE
    • HY-D0280
    • Tox21_202750
    • D&C RED NO. 7--CALCIUM LAKE
    • 2-Naphthalenecarboxylic acid, 3-hydroxy-4-((4-methyl-2-sulfophenyl)azo)-, calcium salt
    • 3-Hydroxy-4-((2-sulfo-p-tolyl)azo)-2-naphthalenecarboxylic acid, calcium salt (1:1)
    • 3-Hydroxy-4-((4-methyl-2-sulfophenyl)azo)-2-naphthalenecarboxylic acid, calcium salt
    • DYE DC RED NO. 7 CALCIUM LAKE
    • NCGC00260298-01
    • CAS-5281-04-9
    • CI 15850:1
    • CS-0010183
    • D&C RED NO. 7--CALCIUM LAKE [II]
    • L0075
    • NS00044157
    • EC 226-109-5
    • Q27095541
    • Calcium3-hydroxy-4-((4-methyl-2-sulfonatophenyl)diazenyl)-2-naphthoate
    • CALCIUM 3-HYDROXY-4-((E)-(4-METHYL-2-SULFONATOPHENYL)DIAZENYL)-2-NAPHTHOATE
    • Calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-carboxylate
    • calcium;2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate
    • 2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-4-((E)-(4-METHYL-2-SULFOPHENYL)AZO)-, CALCIUM SALT (1:1)
    • 226-109-5
    • Calcium 3ahydroxya4a[(1E)a2a(4amethyla2a sulfonatophenyl)diazena1ayl]naphthalenea2a carboxylate
    • Calcium 4-[2-(4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxo-3,4-dihydronaphthalene-2-carboxylate
    • CALCIUM SALT OF 3-HYDROXY-4-((4-METHYL-2-SULFOPHENYL)AZO)-2- NAPHTHALENECARBOXYLIC ACID
    • 5281-04-9

  • Applications

    2-Naphthalenecarboxylic acid, 3-hydroxy-4-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1) (CAS 5281-04-9) is the calcium salt of a water-soluble azo acid and is primarily used as a soluble azo dye for textiles; it is also applied as a colorant for inks, coatings and paper, as well as for plastics and other polymer substrates, and can function as an intermediate in azo dye synthesis for industrial colorant formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.75
    methanol 7.59
    isopropanol 4.43
    water 0.0
    ethyl acetate 8.11
    n-propanol 6.72
    acetone 42.17
    n-butanol 4.19
    acetonitrile 10.16
    DMF 86.62
    toluene 3.21
    isobutanol 3.1
    1,4-dioxane 23.06
    methyl acetate 15.46
    THF 146.01
    2-butanone 36.28
    n-pentanol 2.99
    sec-butanol 4.46
    n-hexane 0.04
    ethylene glycol 3.4
    NMP 58.75
    cyclohexane 0.1
    DMSO 99.06
    n-butyl acetate 5.04
    n-octanol 1.23
    chloroform 8.34
    n-propyl acetate 5.86
    acetic acid 12.38
    dichloromethane 10.58
    cyclohexanone 27.58
    propylene glycol 4.67
    isopropyl acetate 4.89
    DMAc 88.51
    2-ethoxyethanol 16.33
    isopentanol 2.8
    n-heptane 0.06
    ethyl formate 6.11
    1,2-dichloroethane 9.98
    n-hexanol 2.22
    2-methoxyethanol 43.36
    isobutyl acetate 2.46
    tetrachloromethane 0.34
    n-pentyl acetate 3.85
    transcutol 23.52
    n-heptanol 1.68
    ethylbenzene 0.95
    MIBK 5.81
    2-propoxyethanol 18.83
    tert-butanol 4.44
    MTBE 3.13
    2-butoxyethanol 9.31
    propionic acid 6.38
    o-xylene 1.32
    formic acid 7.83
    diethyl ether 4.23
    m-xylene 1.23
    p-xylene 1.35
    chlorobenzene 3.05
    dimethyl carbonate 9.48
    n-octane 0.05
    formamide 18.65
    cyclopentanone 69.98
    2-pentanone 14.24
    anisole 5.27
    cyclopentyl methyl ether 8.99
    gamma-butyrolactone 47.94
    1-methoxy-2-propanol 24.45
    pyridine 30.43
    3-pentanone 10.85
    furfural 30.1
    n-dodecane 0.07
    diethylene glycol 15.57
    diisopropyl ether 0.62
    tert-amyl alcohol 3.73
    acetylacetone 23.35
    n-hexadecane 0.09
    acetophenone 7.08
    methyl propionate 11.92
    isopentyl acetate 4.02
    trichloroethylene 22.48
    n-nonanol 1.48
    cyclohexanol 3.22
    benzyl alcohol 5.46
    2-ethylhexanol 1.22
    isooctanol 1.25
    dipropyl ether 2.48
    1,2-dichlorobenzene 2.36
    ethyl lactate 4.34
    propylene carbonate 10.35
    n-methylformamide 25.44
    2-pentanol 1.93
    n-pentane 0.05
    1-propoxy-2-propanol 10.01
    1-methoxy-2-propyl acetate 10.77
    2-(2-methoxypropoxy) propanol 9.47
    mesitylene 0.54
    ε-caprolactone 17.2
    p-cymene 0.73
    epichlorohydrin 73.12
    1,1,1-trichloroethane 3.61
    2-aminoethanol 6.74
    morpholine-4-carbaldehyde 44.83
    sulfolane 71.16
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 22.92
    n-hexyl acetate 3.51
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 13.18
    sec-butyl acetate 3.12
    tert-butyl acetate 5.89
    decalin 0.06
    glycerin 10.75
    diglyme 23.81
    acrylic acid 8.05
    isopropyl myristate 2.01
    n-butyric acid 6.24
    acetyl acetate 4.86
    di(2-ethylhexyl) phthalate 2.63
    ethyl propionate 5.2
    nitromethane 41.45
    1,2-diethoxyethane 7.93
    benzonitrile 6.14
    trioctyl phosphate 1.76
    1-bromopropane 3.04
    gamma-valerolactone 69.65
    n-decanol 1.25
    triethyl phosphate 2.14
    4-methyl-2-pentanol 1.01
    propionitrile 8.74
    vinylene carbonate 9.2
    1,1,2-trichlorotrifluoroethane 25.16
    DMS 5.7
    cumene 0.53
    2-octanol 0.95
    2-hexanone 9.16
    octyl acetate 2.7
    limonene 0.92
    1,2-dimethoxyethane 26.63
    ethyl orthosilicate 1.88
    tributyl phosphate 2.09
    diacetone alcohol 13.64
    N,N-dimethylaniline 2.74
    acrylonitrile 16.5
    aniline 5.79
    1,3-propanediol 10.34
    bromobenzene 2.57
    dibromomethane 4.74
    1,1,2,2-tetrachloroethane 14.49
    2-methyl-cyclohexyl acetate 3.58
    tetrabutyl urea 4.84
    diisobutyl methanol 0.82
    2-phenylethanol 5.71
    styrene 1.4
    dioctyl adipate 3.64
    dimethyl sulfate 14.6
    ethyl butyrate 4.08
    methyl lactate 10.42
    butyl lactate 4.22
    diethyl carbonate 2.58
    propanediol butyl ether 5.86
    triethyl orthoformate 3.15
    p-tert-butyltoluene 0.7
    methyl 4-tert-butylbenzoate 6.51
    morpholine 32.55
    tert-butylamine 1.24
    n-dodecanol 0.98
    dimethoxymethane 37.03
    ethylene carbonate 6.45
    cyrene 12.7
    2-ethoxyethyl acetate 8.43
    2-ethylhexyl acetate 2.97
    1,2,4-trichlorobenzene 4.25
    4-methylpyridine 15.7
    dibutyl ether 1.76
    2,6-dimethyl-4-heptanol 0.82
    DEF 15.02
    dimethyl isosorbide 20.9
    tetrachloroethylene 5.81
    eugenol 8.14
    triacetin 5.58
    span 80 6.33
    1,4-butanediol 2.84
    1,1-dichloroethane 5.04
    2-methyl-1-pentanol 2.24
    methyl formate 19.9
    2-methyl-1-butanol 2.96
    n-decane 0.09
    butyronitrile 6.1
    3,7-dimethyl-1-octanol 1.27
    1-chlorooctane 0.58
    1-chlorotetradecane 0.35
    n-nonane 0.07
    undecane 0.08
    tert-butylcyclohexane 0.04
    cyclooctane 0.04
    cyclopentanol 7.17
    tetrahydropyran 14.13
    tert-amyl methyl ether 2.95
    2,5,8-trioxanonane 19.86
    1-hexene 0.39
    2-isopropoxyethanol 7.92
    2,2,2-trifluoroethanol 3.41
    methyl butyrate 7.12

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction