2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-

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  • Identifiers

    CAS number
    47465-97-4

    Molecular formula
    C22H19NO3

    SMILES
    CC1=C(C=CC(=C1)C2(C3=CC=CC=C3NC2=O)C4=CC(=C(C=C4)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.51%
    Sweet 35.92%
    Spicy 31.33%
    Fruity 29.57%
    Odorless 29.02%
    Smoky 28.61%
    Animal 28.6%
    Medicinal 27.61%
    Burnt 27.13%
    Bitter 26.25%

     

    Flavor
    Bitter 92.71%
    Odorless 21.62%
    Sweet-like 19.8%
    Very strong 19.72%
    Cedarleaf 19.66%
    Indole 19.45%
    Nitrile 19.35%
    Lovage 19.14%
    Orange flower 18.65%
    Parsley 18.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.32 (weak base)

    Molecular weight
    345.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    779°C

    Flash point

    • 239.35 ˚C est.

  • Synonyms

    • 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-
    • RefChem:484284
    • 47465-97-4
    • Isatin Bis-cresol
    • 3,3-Bis(4-hydroxy-3-methylphenyl)indolin-2-one
    • 3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on
    • 3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one
    • 1,3-Dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-2H-indol-2-one
    • 1,3-Dihydro-3,3-bis(4-hydroxy-m-tolyl)-2H-indol-2-one
    • 3,3-Bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2H-indol-2-one
    • MLS000570994
    • MFCD00484556
    • SMR000187058
    • Isatin biscresol
    • 3,3-Bis(3-methyl-4-hydroxyphenyl)-2-indolinone
    • EINECS 256-318-7
    • 1,3-Dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-2H-indol-2-one; 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-; 3,3-Bis(3-methyl-4-hydroxyphenyl)-2-indolinone
    • 8JKQ5E4TXE
    • SCHEMBL234892
    • cid_162076
    • CHEMBL1589652
    • DTXSID1052119
    • SCHEMBL29403916
    • SCHEMBL29414086
    • BDBM67951
    • CHEBI:107976
    • HMS2308P14
    • AKOS015896163
    • FI24652
    • SB64987
    • NCGC00245607-01
    • AC-19474
    • SY069317
    • DB-070811
    • 3,3-bis(4-hydroxy-3-methyl-phenyl)oxindole
    • NS00020822
    • G78205
    • 3,3-bis(4-hydroxy-3-methyl-phenyl)indolin-2-one
    • 465D974
    • AE-848/33345043
    • SR-01000474894
    • SR-01000474894-1
    • 3,3-bis(3-methyl-4-oxidanyl-phenyl)-1H-indol-2-one
    • Q27186329
    • 3,3-bis-(3-methyl-4-hydroxyphenyl)-2-oxo-2,3-dihydroindole
    • 3,3-Bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2H-indol-2-one #
    • 3,3-Bis(3-methyl-4-hydroxyphenyl)-2-indolinone 100 microg/mL in Acetonitrile
    • 47465-97-4

  • Applications

    For the chemical name 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)- (CAS 47465-97-4), typical applications span several industries and may include: serving as an intermediate in the synthesis of organic pigments, dyes, and pharmaceutical intermediates; acting as an antioxidant and UV-stabilizer additive for polymers, coatings, and adhesives; functioning as a functional monomer or crosslinking component in specialty polymers and coating formulations; serving as a potential chelating agent or ligand in catalytic or formulation systems; and being evaluated as a colorant precursor for cosmetic pigment formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.84
    methanol 3.76
    isopropanol 1.96
    water 0.02
    ethyl acetate 2.79
    n-propanol 2.93
    acetone 6.96
    n-butanol 2.48
    acetonitrile 1.83
    DMF 48.45
    toluene 1.1
    isobutanol 1.83
    1,4-dioxane 12.93
    methyl acetate 3.95
    THF 35.67
    2-butanone 9.55
    n-pentanol 2.15
    sec-butanol 1.73
    n-hexane 0.02
    ethylene glycol 1.62
    NMP 18.65
    cyclohexane 0.05
    DMSO 23.1
    n-butyl acetate 5.96
    n-octanol 3.01
    chloroform 8.39
    n-propyl acetate 4.03
    acetic acid 7.34
    dichloromethane 4.66
    cyclohexanone 16.51
    propylene glycol 2.24
    isopropyl acetate 3.59
    DMAc 69.33
    2-ethoxyethanol 10.21
    isopentanol 3.0
    n-heptane 0.04
    ethyl formate 3.33
    1,2-dichloroethane 3.31
    n-hexanol 3.85
    2-methoxyethanol 17.81
    isobutyl acetate 3.88
    tetrachloromethane 0.54
    n-pentyl acetate 7.77
    transcutol 23.61
    n-heptanol 4.87
    ethylbenzene 0.9
    MIBK 5.24
    2-propoxyethanol 18.63
    tert-butanol 3.01
    MTBE 2.0
    2-butoxyethanol 15.5
    propionic acid 3.91
    o-xylene 0.91
    formic acid 4.97
    diethyl ether 1.45
    m-xylene 0.77
    p-xylene 1.4
    chlorobenzene 2.23
    dimethyl carbonate 6.94
    n-octane 0.06
    formamide 11.1
    cyclopentanone 23.58
    2-pentanone 5.69
    anisole 4.73
    cyclopentyl methyl ether 3.68
    gamma-butyrolactone 18.26
    1-methoxy-2-propanol 14.07
    pyridine 11.91
    3-pentanone 4.44
    furfural 18.76
    n-dodecane 0.09
    diethylene glycol 13.19
    diisopropyl ether 0.56
    tert-amyl alcohol 2.72
    acetylacetone 10.88
    n-hexadecane 0.11
    acetophenone 7.66
    methyl propionate 4.42
    isopentyl acetate 7.88
    trichloroethylene 13.2
    n-nonanol 3.78
    cyclohexanol 2.18
    benzyl alcohol 6.0
    2-ethylhexanol 2.79
    isooctanol 4.5
    dipropyl ether 2.33
    1,2-dichlorobenzene 3.05
    ethyl lactate 5.77
    propylene carbonate 8.14
    n-methylformamide 11.63
    2-pentanol 1.24
    n-pentane 0.02
    1-propoxy-2-propanol 11.24
    1-methoxy-2-propyl acetate 13.02
    2-(2-methoxypropoxy) propanol 14.8
    mesitylene 0.55
    ε-caprolactone 11.26
    p-cymene 1.32
    epichlorohydrin 21.33
    1,1,1-trichloroethane 2.71
    2-aminoethanol 3.52
    morpholine-4-carbaldehyde 30.54
    sulfolane 24.91
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 6.23
    n-hexyl acetate 7.75
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 17.14
    sec-butyl acetate 3.24
    tert-butyl acetate 5.87
    decalin 0.07
    glycerin 7.97
    diglyme 29.44
    acrylic acid 5.17
    isopropyl myristate 3.72
    n-butyric acid 5.61
    acetyl acetate 3.44
    di(2-ethylhexyl) phthalate 6.21
    ethyl propionate 3.47
    nitromethane 15.66
    1,2-diethoxyethane 7.81
    benzonitrile 5.07
    trioctyl phosphate 4.57
    1-bromopropane 1.04
    gamma-valerolactone 38.28
    n-decanol 2.65
    triethyl phosphate 4.61
    4-methyl-2-pentanol 1.7
    propionitrile 3.18
    vinylene carbonate 9.16
    1,1,2-trichlorotrifluoroethane 23.04
    DMS 8.84
    cumene 0.81
    2-octanol 2.8
    2-hexanone 6.07
    octyl acetate 4.79
    limonene 1.34
    1,2-dimethoxyethane 20.25
    ethyl orthosilicate 4.57
    tributyl phosphate 4.49
    diacetone alcohol 10.94
    N,N-dimethylaniline 3.76
    acrylonitrile 5.72
    aniline 3.62
    1,3-propanediol 6.43
    bromobenzene 1.73
    dibromomethane 2.11
    1,1,2,2-tetrachloroethane 11.66
    2-methyl-cyclohexyl acetate 6.43
    tetrabutyl urea 7.87
    diisobutyl methanol 2.0
    2-phenylethanol 8.92
    styrene 0.99
    dioctyl adipate 6.22
    dimethyl sulfate 12.98
    ethyl butyrate 4.48
    methyl lactate 8.47
    butyl lactate 9.42
    diethyl carbonate 4.08
    propanediol butyl ether 10.26
    triethyl orthoformate 5.79
    p-tert-butyltoluene 1.25
    methyl 4-tert-butylbenzoate 11.71
    morpholine 15.83
    tert-butylamine 1.06
    n-dodecanol 1.84
    dimethoxymethane 19.28
    ethylene carbonate 6.88
    cyrene 14.78
    2-ethoxyethyl acetate 12.57
    2-ethylhexyl acetate 6.16
    1,2,4-trichlorobenzene 4.73
    4-methylpyridine 7.49
    dibutyl ether 2.74
    2,6-dimethyl-4-heptanol 2.0
    DEF 8.9
    dimethyl isosorbide 22.64
    tetrachloroethylene 6.17
    eugenol 14.84
    triacetin 10.24
    span 80 11.08
    1,4-butanediol 2.24
    1,1-dichloroethane 2.09
    2-methyl-1-pentanol 2.75
    methyl formate 7.66
    2-methyl-1-butanol 2.42
    n-decane 0.16
    butyronitrile 2.87
    3,7-dimethyl-1-octanol 3.0
    1-chlorooctane 1.11
    1-chlorotetradecane 0.49
    n-nonane 0.1
    undecane 0.11
    tert-butylcyclohexane 0.08
    cyclooctane 0.02
    cyclopentanol 2.67
    tetrahydropyran 6.33
    tert-amyl methyl ether 1.94
    2,5,8-trioxanonane 22.21
    1-hexene 0.21
    2-isopropoxyethanol 7.05
    2,2,2-trifluoroethanol 3.97
    methyl butyrate 5.3

    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