1H-Indene-5-carbonyl chloride, 2,3-dihydro-2-(3-hydroxy-2-quinolinyl)-1,3-dioxo-

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  • Identifiers

    CAS number
    52237-05-5

    Molecular formula
    C19H10ClNO4

    SMILES
    C1=CC=C2C(=C1)C=C(C(=N2)C3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)Cl)O

  • Odor profile

    Fragrance
    Odorless 54.22%
    Bitter 29.33%
    Fruity 26.49%
    Sweet 26.28%
    Burnt 25.94%
    Balsamic 25.73%
    Phenolic 24.25%
    Vanilla 23.48%
    Grape 22.57%
    Powdery 22.54%

     

    Flavor
    Bitter 95.46%
    Odorless 33.33%
    Nitrile 19.18%
    Bland 19.04%
    Sweet-like 18.87%
    Lovage 18.35%
    Cedarleaf 18.24%
    Very strong 18.22%
    Indole 17.81%
    Bread crust 17.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.13 (neutral)

    Molecular weight
    351.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    613°C

    Flash point

    • 246.76 ˚C est.

  • Synonyms

    • 52237-05-5
    • 1H-Indene-5-carbonyl chloride, 2,3-dihydro-2-(3-hydroxy-2-quinolinyl)-1,3-dioxo-
    • DTXSID40885994
    • PQVLFZPMTPSKDA-UHFFFAOYSA-N
    • DTXCID101025345
    • 2-(3-Hydroxy-2-quinolyl)-1,3-dioxoindane-5-carbonyl chloride
    • DB-291766

  • Applications

    1H-Indene-5-carbonyl chloride, 2,3-dihydro-2-(3-hydroxy-2-quinolinyl)-1,3-dioxo- is primarily used as an organic synthesis intermediate and pharmaceutical building block; it participates in acylation reactions to form amides and other useful derivatives, enabling the design of complex heterocyclic compounds. Owing to its indene-quinoline framework, it is commonly employed as a building block for advanced heterocycles and may serve as a precursor for polymer and coating formulations in high-performance materials. Its use is typically limited to research and development and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.36
    methanol 0.29
    isopropanol 0.39
    water 0.01
    ethyl acetate 1.11
    n-propanol 0.55
    acetone 2.29
    n-butanol 0.49
    acetonitrile 0.78
    DMF 21.91
    toluene 0.58
    isobutanol 0.46
    1,4-dioxane 7.52
    methyl acetate 2.3
    THF 17.18
    2-butanone 4.26
    n-pentanol 0.53
    sec-butanol 0.54
    n-hexane 0.01
    ethylene glycol 0.87
    NMP 10.25
    cyclohexane 0.01
    DMSO 8.18
    n-butyl acetate 1.53
    n-octanol 0.7
    chloroform 0.21
    n-propyl acetate 1.79
    acetic acid 1.99
    dichloromethane 0.34
    cyclohexanone 6.21
    propylene glycol 0.55
    isopropyl acetate 1.39
    DMAc 37.03
    2-ethoxyethanol 4.98
    isopentanol 0.69
    n-heptane 0.02
    ethyl formate 0.83
    1,2-dichloroethane 0.55
    n-hexanol 0.44
    2-methoxyethanol 7.69
    isobutyl acetate 1.21
    tetrachloromethane 0.04
    n-pentyl acetate 2.12
    transcutol 18.5
    n-heptanol 0.86
    ethylbenzene 0.43
    MIBK 1.7
    2-propoxyethanol 6.38
    tert-butanol 0.66
    MTBE 0.62
    2-butoxyethanol 5.02
    propionic acid 1.23
    o-xylene 0.55
    formic acid 1.48
    diethyl ether 0.42
    m-xylene 0.39
    p-xylene 0.77
    chlorobenzene 0.38
    dimethyl carbonate 2.87
    n-octane 0.02
    formamide 3.6
    cyclopentanone 8.64
    2-pentanone 2.06
    anisole 2.14
    cyclopentyl methyl ether 2.22
    gamma-butyrolactone 8.31
    1-methoxy-2-propanol 5.5
    pyridine 6.06
    3-pentanone 1.87
    furfural 7.34
    n-dodecane 0.04
    diethylene glycol 6.73
    diisopropyl ether 0.19
    tert-amyl alcohol 0.76
    acetylacetone 5.22
    n-hexadecane 0.04
    acetophenone 3.71
    methyl propionate 2.16
    isopentyl acetate 2.13
    trichloroethylene 1.64
    n-nonanol 1.01
    cyclohexanol 0.9
    benzyl alcohol 2.49
    2-ethylhexanol 0.65
    isooctanol 0.98
    dipropyl ether 0.98
    1,2-dichlorobenzene 0.53
    ethyl lactate 2.14
    propylene carbonate 2.56
    n-methylformamide 3.82
    2-pentanol 0.35
    n-pentane 0.0
    1-propoxy-2-propanol 4.17
    1-methoxy-2-propyl acetate 5.18
    2-(2-methoxypropoxy) propanol 7.23
    mesitylene 0.25
    ε-caprolactone 5.6
    p-cymene 0.52
    epichlorohydrin 9.8
    1,1,1-trichloroethane 0.26
    2-aminoethanol 1.01
    morpholine-4-carbaldehyde 20.48
    sulfolane 10.58
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.62
    n-hexyl acetate 2.31
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.65
    sec-butyl acetate 1.54
    tert-butyl acetate 2.14
    decalin 0.02
    glycerin 2.78
    diglyme 18.16
    acrylic acid 1.88
    isopropyl myristate 1.61
    n-butyric acid 1.28
    acetyl acetate 1.13
    di(2-ethylhexyl) phthalate 2.08
    ethyl propionate 1.94
    nitromethane 6.41
    1,2-diethoxyethane 4.59
    benzonitrile 2.04
    trioctyl phosphate 1.32
    1-bromopropane 0.18
    gamma-valerolactone 20.05
    n-decanol 0.83
    triethyl phosphate 1.8
    4-methyl-2-pentanol 0.41
    propionitrile 1.08
    vinylene carbonate 2.72
    1,1,2-trichlorotrifluoroethane 7.15
    DMS 3.71
    cumene 0.36
    2-octanol 0.62
    2-hexanone 2.49
    octyl acetate 1.84
    limonene 0.5
    1,2-dimethoxyethane 12.73
    ethyl orthosilicate 1.74
    tributyl phosphate 1.59
    diacetone alcohol 4.96
    N,N-dimethylaniline 1.83
    acrylonitrile 2.34
    aniline 1.67
    1,3-propanediol 1.99
    bromobenzene 0.29
    dibromomethane 0.13
    1,1,2,2-tetrachloroethane 1.49
    2-methyl-cyclohexyl acetate 2.38
    tetrabutyl urea 3.55
    diisobutyl methanol 0.69
    2-phenylethanol 2.65
    styrene 0.45
    dioctyl adipate 2.83
    dimethyl sulfate 5.4
    ethyl butyrate 1.79
    methyl lactate 3.52
    butyl lactate 2.85
    diethyl carbonate 1.47
    propanediol butyl ether 3.44
    triethyl orthoformate 2.38
    p-tert-butyltoluene 0.48
    methyl 4-tert-butylbenzoate 4.52
    morpholine 8.92
    tert-butylamine 0.2
    n-dodecanol 0.69
    dimethoxymethane 8.43
    ethylene carbonate 2.05
    cyrene 7.18
    2-ethoxyethyl acetate 4.73
    2-ethylhexyl acetate 1.62
    1,2,4-trichlorobenzene 1.18
    4-methylpyridine 4.0
    dibutyl ether 1.31
    2,6-dimethyl-4-heptanol 0.69
    DEF 5.13
    dimethyl isosorbide 12.46
    tetrachloroethylene 0.81
    eugenol 5.76
    triacetin 4.53
    span 80 4.3
    1,4-butanediol 0.92
    1,1-dichloroethane 0.2
    2-methyl-1-pentanol 0.82
    methyl formate 2.78
    2-methyl-1-butanol 0.67
    n-decane 0.05
    butyronitrile 0.76
    3,7-dimethyl-1-octanol 0.92
    1-chlorooctane 0.29
    1-chlorotetradecane 0.2
    n-nonane 0.03
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 1.08
    tetrahydropyran 2.39
    tert-amyl methyl ether 0.93
    2,5,8-trioxanonane 14.82
    1-hexene 0.06
    2-isopropoxyethanol 3.47
    2,2,2-trifluoroethanol 1.21
    methyl butyrate 2.42

    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