1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl-

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  • Identifiers

    CAS number
    6607-41-6

    Molecular formula
    C26H19NO3

    SMILES
    C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 43.66%
    Fruity 43.56%
    Floral 36.78%
    Sweet 34.98%
    Animal 30.84%
    Odorless 29.55%
    Bitter 27.56%
    Balsamic 27.54%
    Grape 25.89%
    Neroli 25.33%

     

    Flavor
    Bitter 92.69%
    Very strong 19.48%
    Indole 19.14%
    Nitrile 19.1%
    Moth ball 18.81%
    Cedarleaf 18.49%
    Naphthelene 18.23%
    Lovage 17.95%
    Sweet-like 17.7%
    Broom 17.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.36 (weak base)

    Molecular weight
    393.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    763°C

    Flash point

    • 247.34 ˚C est.

  • Synonyms

    • 1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl-
    • 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl-1h-isoindol-1-one
    • RefChem:438784
    • 455-890-7
    • 613-892-7
    • Phenolphthalein anilide
    • 6607-41-6
    • 3,3-bis(4-hydroxyphenyl)-2-phenylisoindolin-1-one
    • 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one
    • MFCD00344843
    • 3,3-bis(4-hydroxyphenyl)-2-phenyl-2,3-dihydro-1H-isoindol-1-one
    • 2-Phenyl-3,3-bis(4-hydroxyphenyl)phthalimidine
    • Phenolphthaleinanilide
    • ZL3YBC3QFG
    • SCHEMBL491038
    • CHEMBL5026136
    • SCHEMBL29365772
    • BDBM176756
    • DTXSID701019794
    • N-Phenyl Phenolphthalein Bisphenol
    • CS-M1655
    • STK838406
    • AKOS000601417
    • AC-36923
    • CS-14436
    • SY248767
    • CAS# 6607-41-6
    • NS00077823
    • ST50229206
    • N-Phenyl 3,3-bis(4-hydroxyphenyl)phthalimide
    • US9688816, 3
    • F798984
    • 3,3-Bis(4-hydroxyphenyl)-2-phenyl-1-isoindolinone
    • Phthalimidine, 3,3-bis(p-hydroxyphenyl)-2-phenyl-
    • 3,3-bis(4-hydroxyphenyl)-2-phenyl-isoindolin-1-one
    • 3,3-Bis(4-hydroxyphenyl)-2-phenyl-2,3-dihydroisoindol-1-one
    • Isoindol-1-one, 3,3-bis(4-hydroxyphenyl)-2-phenyl-2,3-dihydro-
    • 6607-41-6

  • Applications

    Chemical name: 1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl-; CAS number: 6607-41-6. This isoindolinone derivative is primarily encountered as an intermediate in organic synthesis, including dye and pigment precursors. It may function as a crosslinking agent or functional monomer in polymers, coatings, and adhesives, and the para-hydroxyphenyl groups enable potential antioxidant and stabilizing roles in polymer formulations. It is commonly evaluated as a building block for specialty materials in coatings and inks and can serve as a precursor for dye-related applications when formulation constraints permit.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.66
    methanol 1.06
    isopropanol 0.23
    water 0.02
    ethyl acetate 0.4
    n-propanol 0.52
    acetone 1.45
    n-butanol 0.38
    acetonitrile 0.65
    DMF 16.95
    toluene 0.35
    isobutanol 0.25
    1,4-dioxane 2.55
    methyl acetate 0.52
    THF 9.76
    2-butanone 1.5
    n-pentanol 0.54
    sec-butanol 0.24
    n-hexane 0.0
    ethylene glycol 1.33
    NMP 8.76
    cyclohexane 0.0
    DMSO 13.67
    n-butyl acetate 1.46
    n-octanol 1.4
    chloroform 2.08
    n-propyl acetate 0.96
    acetic acid 2.93
    dichloromethane 1.67
    cyclohexanone 3.88
    propylene glycol 1.33
    isopropyl acetate 0.58
    DMAc 16.25
    2-ethoxyethanol 3.47
    isopentanol 0.41
    n-heptane 0.01
    ethyl formate 1.43
    1,2-dichloroethane 1.05
    n-hexanol 0.64
    2-methoxyethanol 6.3
    isobutyl acetate 1.11
    tetrachloromethane 0.1
    n-pentyl acetate 3.42
    transcutol 14.38
    n-heptanol 1.53
    ethylbenzene 0.29
    MIBK 1.18
    2-propoxyethanol 6.73
    tert-butanol 0.26
    MTBE 0.14
    2-butoxyethanol 8.77
    propionic acid 1.12
    o-xylene 0.23
    formic acid 3.75
    diethyl ether 0.1
    m-xylene 0.25
    p-xylene 0.41
    chlorobenzene 1.19
    dimethyl carbonate 1.99
    n-octane 0.01
    formamide 6.31
    cyclopentanone 9.04
    2-pentanone 0.98
    anisole 1.86
    cyclopentyl methyl ether 0.67
    gamma-butyrolactone 7.8
    1-methoxy-2-propanol 4.27
    pyridine 6.31
    3-pentanone 0.58
    furfural 13.2
    n-dodecane 0.03
    diethylene glycol 7.82
    diisopropyl ether 0.05
    tert-amyl alcohol 0.27
    acetylacetone 3.23
    n-hexadecane 0.04
    acetophenone 4.01
    methyl propionate 0.76
    isopentyl acetate 2.25
    trichloroethylene 5.34
    n-nonanol 1.79
    cyclohexanol 0.31
    benzyl alcohol 3.36
    2-ethylhexanol 0.62
    isooctanol 1.45
    dipropyl ether 0.43
    1,2-dichlorobenzene 1.47
    ethyl lactate 2.81
    propylene carbonate 4.22
    n-methylformamide 4.53
    2-pentanol 0.15
    n-pentane 0.0
    1-propoxy-2-propanol 4.78
    1-methoxy-2-propyl acetate 4.13
    2-(2-methoxypropoxy) propanol 9.82
    mesitylene 0.17
    ε-caprolactone 3.32
    p-cymene 0.52
    epichlorohydrin 10.18
    1,1,1-trichloroethane 0.47
    2-aminoethanol 1.86
    morpholine-4-carbaldehyde 13.5
    sulfolane 14.61
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.11
    n-hexyl acetate 3.45
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 11.13
    sec-butyl acetate 0.69
    tert-butyl acetate 1.1
    decalin 0.01
    glycerin 5.7
    diglyme 15.28
    acrylic acid 2.56
    isopropyl myristate 1.99
    n-butyric acid 1.55
    acetyl acetate 0.9
    di(2-ethylhexyl) phthalate 4.86
    ethyl propionate 0.75
    nitromethane 5.73
    1,2-diethoxyethane 2.92
    benzonitrile 4.42
    trioctyl phosphate 3.06
    1-bromopropane 0.16
    gamma-valerolactone 18.78
    n-decanol 1.28
    triethyl phosphate 1.81
    4-methyl-2-pentanol 0.23
    propionitrile 0.85
    vinylene carbonate 5.47
    1,1,2-trichlorotrifluoroethane 15.99
    DMS 3.7
    cumene 0.28
    2-octanol 0.84
    2-hexanone 1.63
    octyl acetate 2.57
    limonene 0.37
    1,2-dimethoxyethane 5.88
    ethyl orthosilicate 1.66
    tributyl phosphate 2.88
    diacetone alcohol 3.02
    N,N-dimethylaniline 1.59
    acrylonitrile 2.56
    aniline 1.26
    1,3-propanediol 2.08
    bromobenzene 0.91
    dibromomethane 0.5
    1,1,2,2-tetrachloroethane 3.54
    2-methyl-cyclohexyl acetate 2.68
    tetrabutyl urea 5.11
    diisobutyl methanol 0.51
    2-phenylethanol 4.15
    styrene 0.41
    dioctyl adipate 4.47
    dimethyl sulfate 4.74
    ethyl butyrate 1.3
    methyl lactate 3.84
    butyl lactate 6.86
    diethyl carbonate 1.41
    propanediol butyl ether 9.15
    triethyl orthoformate 2.04
    p-tert-butyltoluene 0.43
    methyl 4-tert-butylbenzoate 7.77
    morpholine 3.13
    tert-butylamine 0.08
    n-dodecanol 0.9
    dimethoxymethane 4.2
    ethylene carbonate 3.06
    cyrene 11.83
    2-ethoxyethyl acetate 5.98
    2-ethylhexyl acetate 1.72
    1,2,4-trichlorobenzene 2.62
    4-methylpyridine 2.94
    dibutyl ether 0.94
    2,6-dimethyl-4-heptanol 0.51
    DEF 1.93
    dimethyl isosorbide 14.83
    tetrachloroethylene 1.94
    eugenol 11.14
    triacetin 6.43
    span 80 8.48
    1,4-butanediol 1.05
    1,1-dichloroethane 0.34
    2-methyl-1-pentanol 0.61
    methyl formate 3.78
    2-methyl-1-butanol 0.34
    n-decane 0.04
    butyronitrile 0.88
    3,7-dimethyl-1-octanol 1.3
    1-chlorooctane 0.37
    1-chlorotetradecane 0.21
    n-nonane 0.02
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.56
    tetrahydropyran 0.75
    tert-amyl methyl ether 0.18
    2,5,8-trioxanonane 14.32
    1-hexene 0.03
    2-isopropoxyethanol 2.22
    2,2,2-trifluoroethanol 1.67
    methyl butyrate 1.25

    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