1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, chloride (1:1)

Overview IFRA Request a quote

  • Identifiers

    CAS number
    29556-33-0

    Molecular formula
    C22H24ClN3O2

    SMILES
    CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=[N+](C4=CC=CC=C4N3C)C.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Animal 33.65%
    Grape 33.42%
    Fruity 29.51%
    Burnt 28.46%
    Roasted 27.58%
    Floral 26.15%
    Neroli 25.2%
    Odorless 25.1%
    Sweet 24.22%
    Meaty 23.09%

     

    Flavor
    Bitter 88.16%
    Odorless 25.69%
    Bland 20.63%
    Cedarleaf 20.46%
    Very strong 19.44%
    Nitrile 19.42%
    Indole 19.12%
    Parsley 18.92%
    Sweet-like 18.84%
    Lovage 18.69%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.51 (neutral)

    Molecular weight
    397.9 g/mol

    Flash point

    • 250.83 ˚C est.

  • Synonyms

    • 29556-33-0
    • EINECS 249-694-9
    • RefChem:79708
    • 1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, chloride (1:1)
    • 1H-Benzimidazolium, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride (1:1)
    • Basic Yellow 40
    • 1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, chloride
    • 7-(diethylamino)-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)chromen-2-one;chloride
    • MFCD31618442
    • 1H-Benzimidazolium, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride
    • 2-(7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-1H-benzimidazolium chloride
    • C.I. Basic Yellow 40
    • 2-(7-(Diethylamino)-2-oxo-2H-chromen-3-yl)-1,3-dimethyl-1H-benzo[d]imidazol-3-ium chloride
    • 2-[7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
    • 12221-86-2
    • Basic Yellow XL
    • Coumarin40
    • Jaune basique 40
    • Flavine 10GFF
    • Amarelo Basico 40
    • Basico Amarillo 40
    • Fluorescent yellow 10GFF
    • SCHEMBL18725880
    • SCHEMBL29664256
    • Cationic Brilliant Yellow 10GFF
    • DTXSID90904366
    • LCVNGSHJQQOSDB-UHFFFAOYSA-M
    • HY-D1129
    • AKOS037643594
    • AS-17156
    • FB159771
    • CS-0135837
    • 2-[7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-1,3-benzimidazol-3-ium chloride
    • 29556-33-0

  • Applications

    Chemical name: 1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, chloride (1:1); CAS 29556-33-0. This compound may be used as a dye or fluorescent probe and as an intermediate in organic synthesis; in coatings, inks, and plastics to impart color or function as a tagging agent; as a component in optical or electronic materials (for example as a photoluminescent or charge-transfer material) and as a potential catalyst precursor or ionic salt for polymer formulations; and in analytical chemistry as a fluorescence indicator or label. Applications depend on formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.31
    methanol 5.58
    isopropanol 2.4
    water 0.03
    ethyl acetate 5.17
    n-propanol 4.22
    acetone 7.23
    n-butanol 3.81
    acetonitrile 3.23
    DMF 20.15
    toluene 3.64
    isobutanol 3.97
    1,4-dioxane 10.03
    methyl acetate 7.96
    THF 27.35
    2-butanone 11.2
    n-pentanol 3.06
    sec-butanol 3.25
    n-hexane 0.14
    ethylene glycol 2.21
    NMP 42.41
    cyclohexane 0.24
    DMSO 18.81
    n-butyl acetate 4.73
    n-octanol 0.45
    chloroform 82.73
    n-propyl acetate 4.21
    acetic acid 13.45
    dichloromethane 102.44
    cyclohexanone 19.71
    propylene glycol 1.65
    isopropyl acetate 3.35
    DMAc 41.68
    2-ethoxyethanol 8.17
    isopentanol 4.27
    n-heptane 0.1
    ethyl formate 5.74
    1,2-dichloroethane 39.68
    n-hexanol 2.15
    2-methoxyethanol 15.24
    isobutyl acetate 3.34
    tetrachloromethane 4.71
    n-pentyl acetate 3.39
    transcutol 11.88
    n-heptanol 1.38
    ethylbenzene 1.34
    MIBK 3.92
    2-propoxyethanol 11.12
    tert-butanol 2.28
    MTBE 2.33
    2-butoxyethanol 6.61
    propionic acid 6.86
    o-xylene 1.76
    formic acid 11.81
    diethyl ether 2.35
    m-xylene 1.81
    p-xylene 2.56
    chlorobenzene 10.9
    dimethyl carbonate 5.44
    n-octane 0.05
    formamide 16.62
    cyclopentanone 25.84
    2-pentanone 6.14
    anisole 3.02
    cyclopentyl methyl ether 6.39
    gamma-butyrolactone 29.62
    1-methoxy-2-propanol 7.66
    pyridine 21.83
    3-pentanone 6.23
    furfural 34.66
    n-dodecane 0.04
    diethylene glycol 11.27
    diisopropyl ether 0.7
    tert-amyl alcohol 3.18
    acetylacetone 8.97
    n-hexadecane 0.04
    acetophenone 5.98
    methyl propionate 6.75
    isopentyl acetate 5.76
    trichloroethylene 109.68
    n-nonanol 0.6
    cyclohexanol 4.1
    benzyl alcohol 5.92
    2-ethylhexanol 1.62
    isooctanol 1.47
    dipropyl ether 1.5
    1,2-dichlorobenzene 10.27
    ethyl lactate 3.53
    propylene carbonate 13.68
    n-methylformamide 11.36
    2-pentanol 1.83
    n-pentane 0.12
    1-propoxy-2-propanol 5.69
    1-methoxy-2-propyl acetate 6.71
    2-(2-methoxypropoxy) propanol 6.42
    mesitylene 0.83
    ε-caprolactone 16.26
    p-cymene 1.19
    epichlorohydrin 66.95
    1,1,1-trichloroethane 18.86
    2-aminoethanol 4.18
    morpholine-4-carbaldehyde 26.87
    sulfolane 37.99
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 14.05
    n-hexyl acetate 2.28
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 6.7
    sec-butyl acetate 3.12
    tert-butyl acetate 3.37
    decalin 0.18
    glycerin 5.25
    diglyme 14.4
    acrylic acid 9.44
    isopropyl myristate 1.05
    n-butyric acid 8.65
    acetyl acetate 4.28
    di(2-ethylhexyl) phthalate 2.99
    ethyl propionate 3.99
    nitromethane 22.67
    1,2-diethoxyethane 3.87
    benzonitrile 6.34
    trioctyl phosphate 1.49
    1-bromopropane 9.31
    gamma-valerolactone 41.11
    n-decanol 0.46
    triethyl phosphate 3.74
    4-methyl-2-pentanol 1.43
    propionitrile 4.18
    vinylene carbonate 14.98
    1,1,2-trichlorotrifluoroethane 40.03
    DMS 5.63
    cumene 1.08
    2-octanol 0.63
    2-hexanone 5.11
    octyl acetate 1.46
    limonene 1.31
    1,2-dimethoxyethane 12.15
    ethyl orthosilicate 3.5
    tributyl phosphate 2.12
    diacetone alcohol 6.24
    N,N-dimethylaniline 2.5
    acrylonitrile 7.89
    aniline 6.84
    1,3-propanediol 6.92
    bromobenzene 10.81
    dibromomethane 40.94
    1,1,2,2-tetrachloroethane 63.34
    2-methyl-cyclohexyl acetate 4.93
    tetrabutyl urea 3.07
    diisobutyl methanol 0.97
    2-phenylethanol 5.79
    styrene 1.62
    dioctyl adipate 2.58
    dimethyl sulfate 12.89
    ethyl butyrate 3.77
    methyl lactate 5.48
    butyl lactate 4.03
    diethyl carbonate 3.56
    propanediol butyl ether 2.9
    triethyl orthoformate 3.57
    p-tert-butyltoluene 0.88
    methyl 4-tert-butylbenzoate 5.67
    morpholine 14.19
    tert-butylamine 1.09
    n-dodecanol 0.36
    dimethoxymethane 11.15
    ethylene carbonate 10.72
    cyrene 10.34
    2-ethoxyethyl acetate 6.95
    2-ethylhexyl acetate 4.69
    1,2,4-trichlorobenzene 14.91
    4-methylpyridine 14.58
    dibutyl ether 0.8
    2,6-dimethyl-4-heptanol 0.97
    DEF 9.36
    dimethyl isosorbide 14.48
    tetrachloroethylene 39.67
    eugenol 7.41
    triacetin 4.32
    span 80 4.09
    1,4-butanediol 2.87
    1,1-dichloroethane 20.54
    2-methyl-1-pentanol 4.11
    methyl formate 9.19
    2-methyl-1-butanol 4.63
    n-decane 0.06
    butyronitrile 3.77
    3,7-dimethyl-1-octanol 0.83
    1-chlorooctane 0.38
    1-chlorotetradecane 0.19
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.15
    cyclooctane 0.07
    cyclopentanol 6.31
    tetrahydropyran 7.67
    tert-amyl methyl ether 2.46
    2,5,8-trioxanonane 10.73
    1-hexene 0.81
    2-isopropoxyethanol 5.69
    2,2,2-trifluoroethanol 10.01
    methyl butyrate 5.63

    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