Acid Blue 3

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  • Identifiers

    CAS number
    3536-49-0

    Molecular formula
    C54H62CaN4O14S4

    SMILES
    CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Ca+2]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.15%
    Savory 22.57%
    Roasted 20.04%
    Cooked 19.15%
    Meaty 17.78%
    Cooling 17.37%
    Fresh 16.91%
    Bitter 16.39%
    Fruity 16.27%
    Citrus 15.81%

     

    Flavor
    Bitter 85.29%
    Odorless 25.0%
    Nitrile 19.84%
    Bland 19.09%
    Cedarleaf 18.59%
    Lovage 18.33%
    Oriental 17.78%
    Taco 17.66%
    Heather 17.62%
    Basil 17.58%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.15 (weak acid)

    Molecular weight
    1159.4 g/mol

    Flash point

    • 318.4 ˚C est.

  • Synonyms

    • Patent Blue V
    • Acid blue 3
    • Carmine Blue V
    • Merantine Blue V
    • Solar Pure Blue VX
    • Schultz No. 826
    • Patent Blue V and L
    • Mitsui Acid Pure Blue VX
    • New Patent Blue A-CE Extra
    • New Patent Blue Extra Pure A
    • NSC 5010
    • EINECS 222-573-8
    • Patent Blue 5
    • NSC 75430
    • Alphazurine 2 G (C.I. 42051)
    • 8QE473DV1Z
    • C.I. 712
    • CI 42051
    • C.I. 42051
    • E 131
    • CI FOOD BLUE 5
    • ARIAVIT PATENT BLUE V
    • PATENT BLUE V [FCC]
    • m-Hydroxytetraethyldiaminotriphenylcarbinol anhydride disulfonic acid calcium salt
    • INS NO.131
    • PATENT BLUE V [MART.]
    • COGILOR BLUE 517.11
    • DTXSID00873918
    • INS-131
    • VITASYN PATENT BLUE V 50
    • VITASYN PATENT BLUE V 85
    • PATENT BLUE V (E 131)
    • NSC-5010
    • NSC-75430
    • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, calcium salt (2:1)
    • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, calcium salt (2:1)
    • E-131
    • CI (1975) NO. 42051
    • Bis(hydrogen (4-(4-(diethylamino)-5'-hydroxy-2',4'-disulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium), calcium salt
    • Ethanaminium, N-[4-[[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, calcium salt (2:1)
    • PATENT BLUE V CI 42051 E131 [WHO-DD]
    • PATENT BLUE V (MART.)
    • Bis[hydrogen [4-[4-(diethylamino)-5'-hydroxy-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium], calcium salt
    • Ethanaminium, N-[4-[[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt, calcium salt (2:1)
    • N-(4-((4-(diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium
    • N-(4-{[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium
    • RefChem:552561
    • ACID BLUE 3 [INCI]
    • DTXCID801012103
    • PATENT BLUE V CI 42051 E131
    • 222-573-8
    • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methyl-ene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, calcium salt (2:1)
    • N-(4-((4-(Diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methyl-ene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium, hydroxide, inner salt, calcium salt (2:1)
    • CHEBI:59601
    • 3536-49-0
    • Acidal Carmine V
    • C.I. Food Blue 5
    • C.I. Acid Blue 3
    • Patent Blue V calcium salt
    • Blue ZN 3
    • Dai-ei Acid Pure Blue VX
    • Acid Blue 3 calcium salt
    • C.I. Acid Blue 3, calcium salt (2:1)
    • calcium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate
    • Calcium 4-((4-(diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-6-hydroxybenzene-1,3-disulfonate
    • calcium bis(4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-6-hydroxybenzene-1,3-disulfonate)
    • L-Blau 3 [German]
    • Bleu patente V [French]
    • Acid Blue 3 calcium
    • UNII-8QE473DV1Z
    • SCHEMBL340120
    • Patent Blue V hemicalcium salt
    • SCHEMBL1697999
    • MSK5802
    • CHEBI:187511
    • MFCD00038746
    • AKOS000283050
    • C.I.Acid Blue 3 (C.I.42051)
    • calcium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate
    • E131
    • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methyl- ene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, calcium salt (2:1)
    • N-(4-((4-(Diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methyl- ene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium, hydroxide, inner salt, calcium salt (2:1)
    • DB-048788
    • NS00013500
    • Patent Blue V calcium salt (C.I. 42051)
    • G12105
    • Patent Blue V calcium salt, analytical standard
    • Q420087
    • Patent blue V calcium salt (C.I. 42051), extra pure
    • calcium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulonate
    • 3536-49-0

  • Applications

    Acid Blue 3 (CAS 3536-49-0) is an acid dye used primarily as a colorant for protein fibers such as wool and silk in textile processing; it is also employed for dyeing leather and paper. Additionally, it is commonly used as a colorant in coatings and inks, and as a dye for a range of plastics and polymer formulations in industrial manufacturing to impart color to finished products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.08
    methanol 3.18
    isopropanol 0.52
    water 0.01
    ethyl acetate 2.34
    n-propanol 1.03
    acetone 4.45
    n-butanol 0.53
    acetonitrile 1.81
    DMF 54.4
    toluene 0.36
    isobutanol 0.45
    1,4-dioxane 3.09
    methyl acetate 4.45
    THF 6.54
    2-butanone 5.28
    n-pentanol 0.33
    sec-butanol 0.57
    n-hexane 0.01
    ethylene glycol 1.05
    NMP 82.85
    cyclohexane 0.02
    DMSO 18.1
    n-butyl acetate 1.05
    n-octanol 0.09
    chloroform 11.4
    n-propyl acetate 1.43
    acetic acid 8.1
    dichloromethane 11.86
    cyclohexanone 5.18
    propylene glycol 2.0
    isopropyl acetate 1.05
    DMAc 76.85
    2-ethoxyethanol 3.69
    isopentanol 0.3
    n-heptane 0.01
    ethyl formate 2.52
    1,2-dichloroethane 4.2
    n-hexanol 0.17
    2-methoxyethanol 9.47
    isobutyl acetate 0.52
    tetrachloromethane 0.45
    n-pentyl acetate 0.74
    transcutol 3.98
    n-heptanol 0.15
    ethylbenzene 0.14
    MIBK 0.7
    2-propoxyethanol 3.87
    tert-butanol 0.39
    MTBE 0.41
    2-butoxyethanol 1.57
    propionic acid 4.34
    o-xylene 0.28
    formic acid 6.7
    diethyl ether 0.61
    m-xylene 0.19
    p-xylene 0.22
    chlorobenzene 0.99
    dimethyl carbonate 6.11
    n-octane 0.01
    formamide 11.78
    cyclopentanone 11.39
    2-pentanone 2.16
    anisole 1.03
    cyclopentyl methyl ether 1.03
    gamma-butyrolactone 18.73
    1-methoxy-2-propanol 5.96
    pyridine 5.68
    3-pentanone 2.77
    furfural 17.7
    n-dodecane 0.0
    diethylene glycol 3.57
    diisopropyl ether 0.09
    tert-amyl alcohol 0.47
    acetylacetone 4.6
    n-hexadecane 0.0
    acetophenone 2.15
    methyl propionate 5.04
    isopentyl acetate 0.73
    trichloroethylene 18.99
    n-nonanol 0.11
    cyclohexanol 0.41
    benzyl alcohol 1.18
    2-ethylhexanol 0.13
    isooctanol 0.12
    dipropyl ether 0.4
    1,2-dichlorobenzene 1.32
    ethyl lactate 2.13
    propylene carbonate 5.87
    n-methylformamide 15.88
    2-pentanol 0.24
    n-pentane 0.01
    1-propoxy-2-propanol 2.2
    1-methoxy-2-propyl acetate 2.86
    2-(2-methoxypropoxy) propanol 2.49
    mesitylene 0.09
    ε-caprolactone 5.79
    p-cymene 0.1
    epichlorohydrin 13.77
    1,1,1-trichloroethane 2.1
    2-aminoethanol 2.05
    morpholine-4-carbaldehyde 34.86
    sulfolane 32.04
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.94
    n-hexyl acetate 0.55
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.94
    sec-butyl acetate 0.74
    tert-butyl acetate 0.85
    decalin 0.01
    glycerin 5.86
    diglyme 5.72
    acrylic acid 7.5
    isopropyl myristate 0.19
    n-butyric acid 2.8
    acetyl acetate 2.25
    di(2-ethylhexyl) phthalate 0.6
    ethyl propionate 1.68
    nitromethane 27.44
    1,2-diethoxyethane 0.95
    benzonitrile 1.17
    trioctyl phosphate 0.26
    1-bromopropane 0.85
    gamma-valerolactone 27.13
    n-decanol 0.08
    triethyl phosphate 0.99
    4-methyl-2-pentanol 0.11
    propionitrile 1.49
    vinylene carbonate 8.26
    1,1,2-trichlorotrifluoroethane 28.44
    DMS 2.52
    cumene 0.08
    2-octanol 0.08
    2-hexanone 1.31
    octyl acetate 0.32
    limonene 0.14
    1,2-dimethoxyethane 6.21
    ethyl orthosilicate 0.75
    tributyl phosphate 0.37
    diacetone alcohol 2.04
    N,N-dimethylaniline 0.79
    acrylonitrile 4.01
    aniline 1.19
    1,3-propanediol 1.93
    bromobenzene 0.87
    dibromomethane 3.47
    1,1,2,2-tetrachloroethane 11.69
    2-methyl-cyclohexyl acetate 0.93
    tetrabutyl urea 0.81
    diisobutyl methanol 0.08
    2-phenylethanol 0.78
    styrene 0.24
    dioctyl adipate 0.69
    dimethyl sulfate 18.17
    ethyl butyrate 1.25
    methyl lactate 7.15
    butyl lactate 1.45
    diethyl carbonate 1.09
    propanediol butyl ether 1.24
    triethyl orthoformate 1.16
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 2.19
    morpholine 5.28
    tert-butylamine 0.13
    n-dodecanol 0.05
    dimethoxymethane 10.96
    ethylene carbonate 4.13
    cyrene 6.49
    2-ethoxyethyl acetate 2.34
    2-ethylhexyl acetate 0.6
    1,2,4-trichlorobenzene 2.67
    4-methylpyridine 3.24
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.08
    DEF 6.97
    dimethyl isosorbide 5.6
    tetrachloroethylene 5.59
    eugenol 2.44
    triacetin 2.83
    span 80 1.58
    1,4-butanediol 0.61
    1,1-dichloroethane 2.62
    2-methyl-1-pentanol 0.25
    methyl formate 10.7
    2-methyl-1-butanol 0.44
    n-decane 0.01
    butyronitrile 0.83
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.97
    tetrahydropyran 1.13
    tert-amyl methyl ether 0.47
    2,5,8-trioxanonane 3.85
    1-hexene 0.07
    2-isopropoxyethanol 1.59
    2,2,2-trifluoroethanol 4.68
    methyl butyrate 2.4

    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