Indigo

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  • Identifiers

    CAS number
    482-89-3

    Molecular formula
    C16H10N2O2

    SMILES
    C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 41.84%
    Fruity 41.74%
    Bitter 27.6%
    Burnt 27.01%
    Phenolic 23.09%
    Grape 22.95%
    Cooked 20.56%
    Neroli 19.39%
    Musty 18.66%
    Animal 17.94%

     

    Flavor
    Bitter 97.46%
    Odorless 21.22%
    Very strong 18.53%
    Nitrile 18.09%
    Indole 18.06%
    Cedarleaf 17.38%
    Lovage 17.18%
    Sweet-like 17.08%
    Cereal 17.08%
    Moth ball 17.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.0 (neutral)

    Molecular weight
    262.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    666°C

    Flash point

    • 255.02 ˚C est.

  • Synonyms

    • INDIGO
    • 482-89-3
    • Indigotin
    • Indigo Blue
    • Vat blue 1
    • Cystoceva
    • Diindogen
    • Indigo (synthetic)
    • Vulcafix Blue R
    • Indigo Pure BASF
    • Indigo Ciba
    • Indigo Synthetic
    • Synthetic Indigo
    • Indigo J
    • Indigo N
    • Indigo P
    • Indigo Powder W
    • Vulcafor Blue A
    • Vynamon Blue A
    • Indigo VS
    • Indigo Ciba SL
    • Indigo NAC
    • Indigo PLN
    • Indigo NACCO
    • C.I. Vat Blue 1
    • Mitsui Indigo Pure
    • Mitsui Indigo Paste
    • indigo dye
    • Synthetic Indigo TS
    • Vulcol Fast Blue GL
    • Lithosol Deep Blue B
    • Vulcanosine Dark Blue L
    • D&C Blue No. 6
    • Blue No. 201
    • D and C Blue No. 6
    • 3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
    • indigo blue (powder)
    • Lithosol deep blue V
    • Indigo,natural
    • Indigo Pure BASF Powder K
    • 11669 Blue
    • Monolite Fast Navy Blue BV
    • Modr kypova 1
    • CI 73000
    • 2-(3-hydroxy-1H-indol-2-yl)indol-3-one
    • D&C Blue No.6
    • 2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
    • NCI-C61392
    • (2,2'-Biindoline)-3,3'-dione
    • C.I. 73000
    • 12626-73-2
    • 68651-46-7
    • Indigo [HPUS]
    • Indigo [HSDB]
    • Indigo [MI]
    • C.I.73000
    • AO201
    • D&C Blue 6
    • D+C Blue No. 6
    • NSC 8645
    • NSC-8645
    • MFCD00005722
    • D And C Blue Number 6
    • [2,2'-Biindolinylidene]-3,3'-dione
    • (2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
    • D&C Blue No. 6 [II]
    • 1G5BK41P4F
    • CHEMBL599552
    • .DELTA.2,2'-Bipseudoindoxyl
    • DTXSID3026279
    • (2E)-2-(3-oxoindolin-2-ylidene)indolin-3-one
    • 64784-13-0
    • NCGC00163355-01
    • 2-(3-oxoindolin-2-ylidene)indolin-3-one
    • 2,2'-Biindole-3,3'(1H,1'H)-dione
    • (delta(sup 2,2')-Biindoline)-3,3'-dione
    • (Z)-[2,2'-Biindolinylidene]-3,3'-dione
    • Indigo (Technical Grade)
    • 1H,1'H-[2,2']Biindolylidene-3,3'-dione
    • Indigo (VAN)
    • CI Vat Blue 1
    • DTXCID101022739
    • Indigo Naturalis
    • Modr Kypova 1 [Czech]
    • delta2,2'-Bipseudoindoxyl
    • D & C Blue No. 6
    • Indigo (dye)
    • 2001554-70-5
    • CAS-482-89-3
    • SMR000857361
    • CCRIS 4379
    • (E)-[2,2'-Biindolinylidene]-3,3'-dione
    • HSDB 4372
    • delta(sup 2,2')-Bipseudoindoxyl
    • EINECS 207-586-9
    • BRN 0088275
    • UNII-1G5BK41P4F
    • Indigoblau
    • cis-indigo
    • AI3-09080
    • indigo B
    • Indigo, synthetic
    • Indigo CRS
    • (delta2,2'(3H,3'H)-Biindole)-3,3'-dione
    • Indigotin (natural)
    • (delta2,2'-Biindoline)-3,3'-dione
    • C.I Vat blue 1
    • D & C blue No 6
    • INDIGO [WHO-DD]
    • 2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one
    • EC 207-586-9
    • [.DELTA.2,3'-dione
    • SCHEMBL42280
    • SCHEMBL56085
    • 5-24-08-00503 (Beilstein Handbook Reference)
    • MLS001335921
    • MLS001335922
    • CHEMBL35479
    • SCHEMBL320595
    • AO201 [INCI]
    • MEGxp0_001924
    • orb1304940
    • 1H,1'H,3H,3'H-[2,2'-biindolylidene]-3,3'-dione
    • Indigo (C.I. 73000)
    • SCHEMBL23064865
    • SCHEMBL29353719
    • SCHEMBL29583322
    • 482-89-3

  • Applications

    Indigo (CAS 482-89-3) is a vat dye widely used in textile dyeing, notably for denim and other fabrics, because of its distinctive blue color and colorfastness; it is also used for leather dyeing to achieve deep blue hues; it serves as a blue colorant in inks, coatings, and paper products; it is used as a pigment/colorant in plastics and polymers to impart blue tones to finished articles; and it functions as an intermediate in the production of indigoid dyes and related pigments in the dye industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.46
    methanol 0.55
    isopropanol 0.32
    water 0.0
    ethyl acetate 1.24
    n-propanol 0.44
    acetone 1.18
    n-butanol 0.59
    acetonitrile 0.37
    DMF 9.98
    toluene 0.17
    isobutanol 0.36
    1,4-dioxane 1.83
    methyl acetate 1.29
    THF 8.44
    2-butanone 2.35
    n-pentanol 0.54
    sec-butanol 0.52
    n-hexane 0.01
    ethylene glycol 0.65
    NMP 4.95
    cyclohexane 0.01
    DMSO 4.75
    n-butyl acetate 1.88
    n-octanol 1.01
    chloroform 0.4
    n-propyl acetate 1.29
    acetic acid 1.56
    dichloromethane 0.54
    cyclohexanone 2.61
    propylene glycol 0.71
    isopropyl acetate 1.71
    DMAc 15.12
    2-ethoxyethanol 3.69
    isopentanol 0.96
    n-heptane 0.02
    ethyl formate 0.73
    1,2-dichloroethane 0.51
    n-hexanol 0.89
    2-methoxyethanol 7.43
    isobutyl acetate 1.25
    tetrachloromethane 0.05
    n-pentyl acetate 2.8
    transcutol 34.48
    n-heptanol 1.29
    ethylbenzene 0.21
    MIBK 2.07
    2-propoxyethanol 6.88
    tert-butanol 0.66
    MTBE 0.57
    2-butoxyethanol 6.87
    propionic acid 0.97
    o-xylene 0.2
    formic acid 1.3
    diethyl ether 0.36
    m-xylene 0.21
    p-xylene 0.31
    chlorobenzene 0.32
    dimethyl carbonate 2.39
    n-octane 0.02
    formamide 3.1
    cyclopentanone 5.07
    2-pentanone 1.91
    anisole 1.44
    cyclopentyl methyl ether 1.22
    gamma-butyrolactone 5.13
    1-methoxy-2-propanol 6.88
    pyridine 2.55
    3-pentanone 1.11
    furfural 6.44
    n-dodecane 0.04
    diethylene glycol 7.45
    diisopropyl ether 0.22
    tert-amyl alcohol 0.86
    acetylacetone 4.98
    n-hexadecane 0.05
    acetophenone 2.54
    methyl propionate 1.8
    isopentyl acetate 2.9
    trichloroethylene 1.83
    n-nonanol 1.41
    cyclohexanol 0.5
    benzyl alcohol 1.85
    2-ethylhexanol 0.91
    isooctanol 1.43
    dipropyl ether 0.73
    1,2-dichlorobenzene 0.56
    ethyl lactate 2.56
    propylene carbonate 2.72
    n-methylformamide 2.13
    2-pentanol 0.52
    n-pentane 0.0
    1-propoxy-2-propanol 4.87
    1-methoxy-2-propyl acetate 5.72
    2-(2-methoxypropoxy) propanol 10.85
    mesitylene 0.17
    ε-caprolactone 3.01
    p-cymene 0.44
    epichlorohydrin 7.02
    1,1,1-trichloroethane 0.29
    2-aminoethanol 1.0
    morpholine-4-carbaldehyde 8.46
    sulfolane 8.11
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.87
    n-hexyl acetate 3.33
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 14.12
    sec-butyl acetate 1.54
    tert-butyl acetate 2.59
    decalin 0.02
    glycerin 3.52
    diglyme 21.53
    acrylic acid 1.51
    isopropyl myristate 2.01
    n-butyric acid 1.62
    acetyl acetate 1.3
    di(2-ethylhexyl) phthalate 3.06
    ethyl propionate 1.67
    nitromethane 4.46
    1,2-diethoxyethane 4.26
    benzonitrile 1.36
    trioctyl phosphate 2.06
    1-bromopropane 0.16
    gamma-valerolactone 9.26
    n-decanol 1.13
    triethyl phosphate 1.98
    4-methyl-2-pentanol 0.71
    propionitrile 0.58
    vinylene carbonate 2.52
    1,1,2-trichlorotrifluoroethane 7.54
    DMS 4.4
    cumene 0.25
    2-octanol 0.97
    2-hexanone 1.7
    octyl acetate 2.41
    limonene 0.44
    1,2-dimethoxyethane 6.92
    ethyl orthosilicate 1.89
    tributyl phosphate 2.35
    diacetone alcohol 6.39
    N,N-dimethylaniline 1.25
    acrylonitrile 1.37
    aniline 0.79
    1,3-propanediol 2.04
    bromobenzene 0.25
    dibromomethane 0.17
    1,1,2,2-tetrachloroethane 1.41
    2-methyl-cyclohexyl acetate 2.35
    tetrabutyl urea 4.07
    diisobutyl methanol 0.85
    2-phenylethanol 2.81
    styrene 0.23
    dioctyl adipate 3.38
    dimethyl sulfate 4.73
    ethyl butyrate 1.87
    methyl lactate 4.44
    butyl lactate 4.73
    diethyl carbonate 1.64
    propanediol butyl ether 6.59
    triethyl orthoformate 2.26
    p-tert-butyltoluene 0.42
    methyl 4-tert-butylbenzoate 5.82
    morpholine 2.7
    tert-butylamine 0.23
    n-dodecanol 0.9
    dimethoxymethane 6.2
    ethylene carbonate 1.54
    cyrene 6.93
    2-ethoxyethyl acetate 5.83
    2-ethylhexyl acetate 2.05
    1,2,4-trichlorobenzene 0.98
    4-methylpyridine 1.42
    dibutyl ether 1.26
    2,6-dimethyl-4-heptanol 0.85
    DEF 2.98
    dimethyl isosorbide 13.2
    tetrachloroethylene 0.79
    eugenol 8.54
    triacetin 5.86
    span 80 6.95
    1,4-butanediol 0.73
    1,1-dichloroethane 0.23
    2-methyl-1-pentanol 0.98
    methyl formate 1.69
    2-methyl-1-butanol 0.78
    n-decane 0.05
    butyronitrile 0.58
    3,7-dimethyl-1-octanol 1.43
    1-chlorooctane 0.35
    1-chlorotetradecane 0.23
    n-nonane 0.03
    undecane 0.05
    tert-butylcyclohexane 0.03
    cyclooctane 0.0
    cyclopentanol 0.65
    tetrahydropyran 0.79
    tert-amyl methyl ether 0.85
    2,5,8-trioxanonane 18.07
    1-hexene 0.05
    2-isopropoxyethanol 2.9
    2,2,2-trifluoroethanol 1.0
    methyl butyrate 1.96

    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