HC Violet No. 2

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  • Identifiers

    CAS number
    104226-19-9

    Molecular formula
    C13H21N3O5

    SMILES
    C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 51.17%
    Sweet 40.91%
    Fishy 33.0%
    Savory 27.06%
    Alcoholic 21.63%
    Cooling 20.82%
    Animal 20.34%
    Meaty 18.98%
    Milky 18.42%
    Bitter 17.2%

     

    Flavor
    Odorless 61.65%
    Bitter 48.58%
    Mild 34.87%
    Bland 27.67%
    Sweet-like 26.79%
    Very mild 22.78%
    Yeast 20.79%
    Very slight 20.1%
    Orange flower 20.07%
    Faint 19.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.45 (weak base)

    Molecular weight
    299.32 g/mol

    Flash point

    • 271.71 ˚C est.

  • Synonyms

    • HC Violet no. 2
    • HC Violet 2
    • Imexine Fag
    • UNII-639H4QR04O
    • 639H4QR04O
    • 3-((4-(bis(2-hydroxyethyl)amino)-2-nitrophenyl)amino)-1-propanol
    • EC 410-910-3
    • 1-Propanol, 3-((4-(bis(2-hydroxyethyl)amino)-2-nitrophenyl)amino)-
    • DTXSID60146352
    • 1-gamma-Hydroxypropylamino-2-nitro-4-bis(beta-hydroxyethyl)aminobenzene
    • 1-Propanol, 3-[[4-[bis(2-hydroxyethyl)amino]-2-nitrophenyl]amino]-
    • 1-.GAMMA.-HYDROXYPROPYLAMINO-2-NITRO-4-BIS(.BETA.-HYDROXYETHYL)AMINOBENZENE
    • RefChem:145376
    • DTXCID7068843
    • HC VIOLET NO. 2 [INCI]
    • 410-910-3
    • 104226-19-9
    • 3-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]propan-1-ol
    • 3-{4-[Bis(2-hydroxyethyl)amino]-2-nitroanilino}propan-1-ol
    • SCHEMBL198602
    • SCHEMBL30808004
    • YHSOWKGIYXECIF-UHFFFAOYSA-N
    • NS00009231
    • Q27263590
    • 104226-19-9

  • Applications

    HC Violet No. 2 (CAS 104226-19-9) is a colorant and a dye intermediate used widely in industrial applications, including textile dyeing and printing, inks and coatings, colorant/masterbatch for plastics and polymers, paper and packaging coloration, and as an intermediate in the synthesis of other dyes and pigments.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.83
    methanol 22.5
    isopropanol 2.54
    water 12.76
    ethyl acetate 6.6
    n-propanol 4.7
    acetone 9.46
    n-butanol 3.4
    acetonitrile 4.81
    DMF 114.16
    toluene 1.62
    isobutanol 3.12
    1,4-dioxane 5.29
    methyl acetate 8.26
    THF 12.77
    2-butanone 6.88
    n-pentanol 3.7
    sec-butanol 2.91
    n-hexane 0.11
    ethylene glycol 35.4
    NMP 226.82
    cyclohexane 0.23
    DMSO 317.47
    n-butyl acetate 4.42
    n-octanol 1.37
    chloroform 3.92
    n-propyl acetate 4.3
    acetic acid 75.33
    dichloromethane 6.73
    cyclohexanone 22.69
    propylene glycol 27.02
    isopropyl acetate 4.38
    DMAc 215.98
    2-ethoxyethanol 27.15
    isopentanol 3.64
    n-heptane 0.19
    ethyl formate 8.53
    1,2-dichloroethane 7.51
    n-hexanol 3.26
    2-methoxyethanol 51.7
    isobutyl acetate 2.58
    tetrachloromethane 1.27
    n-pentyl acetate 2.75
    transcutol 46.07
    n-heptanol 2.22
    ethylbenzene 1.28
    MIBK 4.26
    2-propoxyethanol 19.21
    tert-butanol 4.62
    MTBE 1.41
    2-butoxyethanol 10.26
    propionic acid 25.14
    o-xylene 2.66
    formic acid 169.12
    diethyl ether 1.0
    m-xylene 2.21
    p-xylene 1.89
    chlorobenzene 2.29
    dimethyl carbonate 13.93
    n-octane 0.1
    formamide 165.41
    cyclopentanone 32.84
    2-pentanone 5.34
    anisole 2.95
    cyclopentyl methyl ether 5.69
    gamma-butyrolactone 62.87
    1-methoxy-2-propanol 26.06
    pyridine 8.73
    3-pentanone 5.97
    furfural 49.99
    n-dodecane 0.09
    diethylene glycol 41.92
    diisopropyl ether 0.67
    tert-amyl alcohol 4.81
    acetylacetone 17.64
    n-hexadecane 0.1
    acetophenone 9.94
    methyl propionate 12.49
    isopentyl acetate 4.63
    trichloroethylene 14.93
    n-nonanol 1.53
    cyclohexanol 5.75
    benzyl alcohol 9.15
    2-ethylhexanol 2.38
    isooctanol 2.05
    dipropyl ether 1.72
    1,2-dichlorobenzene 3.58
    ethyl lactate 12.92
    propylene carbonate 27.57
    n-methylformamide 55.95
    2-pentanol 1.74
    n-pentane 0.09
    1-propoxy-2-propanol 11.03
    1-methoxy-2-propyl acetate 12.01
    2-(2-methoxypropoxy) propanol 16.68
    mesitylene 1.62
    ε-caprolactone 25.55
    p-cymene 1.87
    epichlorohydrin 26.51
    1,1,1-trichloroethane 4.02
    2-aminoethanol 31.89
    morpholine-4-carbaldehyde 82.21
    sulfolane 157.87
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 6.58
    n-hexyl acetate 3.18
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 17.17
    sec-butyl acetate 2.92
    tert-butyl acetate 5.63
    decalin 0.26
    glycerin 78.12
    diglyme 27.77
    acrylic acid 41.22
    isopropyl myristate 1.67
    n-butyric acid 16.95
    acetyl acetate 9.04
    di(2-ethylhexyl) phthalate 4.89
    ethyl propionate 5.17
    nitromethane 87.19
    1,2-diethoxyethane 4.45
    benzonitrile 6.25
    trioctyl phosphate 3.17
    1-bromopropane 1.44
    gamma-valerolactone 58.84
    n-decanol 1.25
    triethyl phosphate 6.61
    4-methyl-2-pentanol 1.67
    propionitrile 4.15
    vinylene carbonate 25.28
    1,1,2-trichlorotrifluoroethane 73.96
    DMS 10.75
    cumene 1.32
    2-octanol 1.11
    2-hexanone 4.0
    octyl acetate 2.39
    limonene 2.19
    1,2-dimethoxyethane 15.93
    ethyl orthosilicate 5.22
    tributyl phosphate 3.98
    diacetone alcohol 16.8
    N,N-dimethylaniline 4.47
    acrylonitrile 10.57
    aniline 5.32
    1,3-propanediol 26.57
    bromobenzene 1.83
    dibromomethane 3.35
    1,1,2,2-tetrachloroethane 12.35
    2-methyl-cyclohexyl acetate 6.55
    tetrabutyl urea 7.14
    diisobutyl methanol 1.62
    2-phenylethanol 7.35
    styrene 1.26
    dioctyl adipate 4.74
    dimethyl sulfate 55.03
    ethyl butyrate 5.03
    methyl lactate 31.11
    butyl lactate 7.57
    diethyl carbonate 5.22
    propanediol butyl ether 12.7
    triethyl orthoformate 5.03
    p-tert-butyltoluene 1.71
    methyl 4-tert-butylbenzoate 11.84
    morpholine 10.81
    tert-butylamine 1.43
    n-dodecanol 1.01
    dimethoxymethane 17.13
    ethylene carbonate 18.73
    cyrene 37.19
    2-ethoxyethyl acetate 6.15
    2-ethylhexyl acetate 3.45
    1,2,4-trichlorobenzene 6.11
    4-methylpyridine 7.77
    dibutyl ether 0.97
    2,6-dimethyl-4-heptanol 1.62
    DEF 22.2
    dimethyl isosorbide 30.25
    tetrachloroethylene 8.87
    eugenol 13.99
    triacetin 11.54
    span 80 12.15
    1,4-butanediol 15.36
    1,1-dichloroethane 2.8
    2-methyl-1-pentanol 4.12
    methyl formate 34.8
    2-methyl-1-butanol 3.72
    n-decane 0.12
    butyronitrile 2.87
    3,7-dimethyl-1-octanol 1.89
    1-chlorooctane 0.55
    1-chlorotetradecane 0.33
    n-nonane 0.1
    undecane 0.1
    tert-butylcyclohexane 0.19
    cyclooctane 0.14
    cyclopentanol 8.56
    tetrahydropyran 2.81
    tert-amyl methyl ether 2.2
    2,5,8-trioxanonane 26.64
    1-hexene 0.43
    2-isopropoxyethanol 12.72
    2,2,2-trifluoroethanol 58.07
    methyl butyrate 7.36

    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