1-methoxy-9H-carbazole-3-carboxylic acid

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  • Identifiers

    CAS number
    3889-89-2

    Molecular formula
    C14H11NO3

    SMILES
    COC1=CC(=CC2=C1NC3=CC=CC=C32)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 44.98%
    Grape 40.2%
    Fruity 38.69%
    Neroli 37.83%
    Odorless 37.35%
    Powdery 35.35%
    Phenolic 34.12%
    Balsamic 32.62%
    Sweet 32.06%
    Animal 31.27%

     

    Flavor
    Bitter 80.5%
    Odorless 39.48%
    Mild 24.88%
    Faint 23.93%
    Bland 21.59%
    Sweet-like 21.16%
    Nitrile 20.92%
    Very strong 20.83%
    Orange flower 20.83%
    Lovage 20.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.84 (neutral)

    Molecular weight
    241.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    476°C

    Flash point

    • 251.72 ˚C est.

  • Synonyms

    • mukoeic acid
    • 1-methoxy-9H-carbazole-3-carboxylic acid
    • 3889-89-2
    • Mukoeate
    • RefChem:76167
    • NSC654276
    • CHEMBL498081
    • SCHEMBL29460309
    • DTXSID901275954
    • NSC-654276
    • NCI60_018840
    • 9H-Carbazole-3-carboxylic acid, 1-methoxy-
    • 3889-89-2

  • Applications

    1-methoxy-9H-carbazole-3-carboxylic acid (CAS 3889-89-2) is primarily used as an intermediate in the synthesis of carbazole-based materials for electronics, including hole-transport and emissive components for OLEDs and other optoelectronic devices. It also serves as a building block for fluorophores and fluorescent intermediates used in optical materials. It acts as a precursor to functionally substituted carbazole derivatives for polymers and coatings/inks. Additionally, it is evaluated for sensor materials and liquid-crystal polymer systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.09
    methanol 17.36
    isopropanol 6.08
    water 0.18
    ethyl acetate 14.8
    n-propanol 9.1
    acetone 12.59
    n-butanol 7.61
    acetonitrile 2.68
    DMF 154.0
    toluene 0.96
    isobutanol 5.41
    1,4-dioxane 17.59
    methyl acetate 18.13
    THF 53.28
    2-butanone 18.19
    n-pentanol 6.34
    sec-butanol 6.82
    n-hexane 0.04
    ethylene glycol 11.26
    NMP 60.18
    cyclohexane 0.06
    DMSO 50.97
    n-butyl acetate 8.76
    n-octanol 3.2
    chloroform 1.17
    n-propyl acetate 11.58
    acetic acid 18.55
    dichloromethane 2.63
    cyclohexanone 19.24
    propylene glycol 7.01
    isopropyl acetate 10.32
    DMAc 176.66
    2-ethoxyethanol 47.03
    isopentanol 8.32
    n-heptane 0.11
    ethyl formate 8.12
    1,2-dichloroethane 3.2
    n-hexanol 6.15
    2-methoxyethanol 82.35
    isobutyl acetate 6.72
    tetrachloromethane 0.33
    n-pentyl acetate 8.84
    transcutol 54.99
    n-heptanol 5.82
    ethylbenzene 1.37
    MIBK 8.06
    2-propoxyethanol 37.77
    tert-butanol 8.17
    MTBE 4.23
    2-butoxyethanol 23.18
    propionic acid 11.79
    o-xylene 1.5
    formic acid 24.69
    diethyl ether 3.79
    m-xylene 1.2
    p-xylene 1.98
    chlorobenzene 1.44
    dimethyl carbonate 18.89
    n-octane 0.11
    formamide 73.17
    cyclopentanone 31.73
    2-pentanone 12.18
    anisole 8.24
    cyclopentyl methyl ether 9.35
    gamma-butyrolactone 42.6
    1-methoxy-2-propanol 43.36
    pyridine 14.79
    3-pentanone 9.02
    furfural 35.61
    n-dodecane 0.13
    diethylene glycol 41.25
    diisopropyl ether 1.27
    tert-amyl alcohol 9.07
    acetylacetone 22.04
    n-hexadecane 0.15
    acetophenone 15.31
    methyl propionate 21.56
    isopentyl acetate 10.62
    trichloroethylene 6.75
    n-nonanol 3.98
    cyclohexanol 5.28
    benzyl alcohol 12.35
    2-ethylhexanol 4.09
    isooctanol 5.41
    dipropyl ether 3.9
    1,2-dichlorobenzene 2.32
    ethyl lactate 12.33
    propylene carbonate 18.55
    n-methylformamide 45.6
    2-pentanol 4.39
    n-pentane 0.04
    1-propoxy-2-propanol 19.2
    1-methoxy-2-propyl acetate 21.07
    2-(2-methoxypropoxy) propanol 21.75
    mesitylene 0.96
    ε-caprolactone 25.13
    p-cymene 1.66
    epichlorohydrin 41.51
    1,1,1-trichloroethane 1.13
    2-aminoethanol 16.21
    morpholine-4-carbaldehyde 76.15
    sulfolane 44.1
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 17.28
    n-hexyl acetate 7.89
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 27.92
    sec-butyl acetate 8.86
    tert-butyl acetate 12.03
    decalin 0.16
    glycerin 24.24
    diglyme 51.67
    acrylic acid 14.5
    isopropyl myristate 3.92
    n-butyric acid 13.1
    acetyl acetate 8.42
    di(2-ethylhexyl) phthalate 6.8
    ethyl propionate 11.71
    nitromethane 44.48
    1,2-diethoxyethane 13.95
    benzonitrile 5.92
    trioctyl phosphate 4.68
    1-bromopropane 0.85
    gamma-valerolactone 61.7
    n-decanol 3.2
    triethyl phosphate 7.82
    4-methyl-2-pentanol 3.62
    propionitrile 3.55
    vinylene carbonate 15.68
    1,1,2-trichlorotrifluoroethane 32.51
    DMS 14.5
    cumene 1.33
    2-octanol 3.19
    2-hexanone 9.74
    octyl acetate 5.39
    limonene 1.96
    1,2-dimethoxyethane 57.05
    ethyl orthosilicate 7.38
    tributyl phosphate 4.8
    diacetone alcohol 25.97
    N,N-dimethylaniline 7.69
    acrylonitrile 7.99
    aniline 5.63
    1,3-propanediol 24.53
    bromobenzene 1.02
    dibromomethane 0.89
    1,1,2,2-tetrachloroethane 5.14
    2-methyl-cyclohexyl acetate 9.2
    tetrabutyl urea 8.78
    diisobutyl methanol 2.89
    2-phenylethanol 10.95
    styrene 1.45
    dioctyl adipate 7.31
    dimethyl sulfate 32.98
    ethyl butyrate 8.27
    methyl lactate 20.2
    butyl lactate 10.54
    diethyl carbonate 7.63
    propanediol butyl ether 14.81
    triethyl orthoformate 8.4
    p-tert-butyltoluene 1.52
    methyl 4-tert-butylbenzoate 14.97
    morpholine 30.93
    tert-butylamine 2.23
    n-dodecanol 2.44
    dimethoxymethane 62.89
    ethylene carbonate 12.55
    cyrene 27.82
    2-ethoxyethyl acetate 20.0
    2-ethylhexyl acetate 7.54
    1,2,4-trichlorobenzene 4.16
    4-methylpyridine 11.08
    dibutyl ether 2.72
    2,6-dimethyl-4-heptanol 2.89
    DEF 32.5
    dimethyl isosorbide 32.96
    tetrachloroethylene 4.47
    eugenol 19.03
    triacetin 15.06
    span 80 14.26
    1,4-butanediol 10.05
    1,1-dichloroethane 0.9
    2-methyl-1-pentanol 7.41
    methyl formate 26.28
    2-methyl-1-butanol 7.85
    n-decane 0.18
    butyronitrile 3.22
    3,7-dimethyl-1-octanol 3.7
    1-chlorooctane 0.79
    1-chlorotetradecane 0.54
    n-nonane 0.12
    undecane 0.15
    tert-butylcyclohexane 0.14
    cyclooctane 0.05
    cyclopentanol 7.15
    tetrahydropyran 7.59
    tert-amyl methyl ether 5.37
    2,5,8-trioxanonane 37.74
    1-hexene 0.35
    2-isopropoxyethanol 27.76
    2,2,2-trifluoroethanol 12.18
    methyl butyrate 15.02

    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