N-(2,6-Diisopropylphenyl)-6-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-1H-benzo(d,E)isoquinoline-1,3(2H)-dione

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  • Identifiers

    CAS number
    852282-89-4

    Molecular formula
    C38H43NO3

    SMILES
    CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C4C(=C(C=C3)OC5=CC=C(C=C5)C(C)(C)CC(C)(C)C)C=CC=C4C2=O

    Safety labels

  • Odor profile

    Fragrance
    Musk 41.46%
    Fruity 38.37%
    Animal 33.91%
    Dry 33.8%
    Woody 33.74%
    Amber 31.04%
    Herbal 28.71%
    Leathery 27.92%
    Phenolic 27.56%
    Floral 26.26%

     

    Flavor
    Bitter 74.73%
    Cedarleaf 19.59%
    Herbal 18.88%
    Lovage 18.5%
    Parsley 18.42%
    Green pepper 17.92%
    Creosote 17.75%
    Thymol 17.69%
    Broom 17.67%
    Ripe apricot 17.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.9

    pKa est.
    6.95 (neutral)

    Molecular weight
    561.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    709°C

    Flash point

    • 250.17 ˚C est.

  • Synonyms

    • N-(2,6-Diisopropylphenyl)-6-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-1H-benzo(d,E)isoquinoline-1,3(2H)-dione
    • UNII-0H0755Q5F8
    • 852282-89-4
    • 0H0755Q5F8
    • 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2,6-bis(1-methylethyl)phenyl)-6-(4-(1,1,3,3-tetramethylbutyl)phenoxy)
    • DTXSID70234431
    • 2-(2,6-DIISOPROPYLPHENYL)-6-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)NAPHTALIMIDE
    • 1H-BENZ(DE)ISOQUINOLINE-1,3(2H)-DIONE, 2-(2,6-BIS(1-METHYLETHYL)PHENYL)-6-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)-
    • RefChem:161543
    • DTXCID70156922
    • SCHEMBL993935
    • NS00112936
    • Q27236770
    • N-(2,6-diisopropylphenyl)-4-(4-tert-octylphenoxy)naphthalene-1,8-dicarboximide
    • 2-[2,6-Di(propan-2-yl)phenyl]-6-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1H-benzo[de]isoquinoline-1,3(2H)-dione
    • N-(2,6-Diisopropylphenyl)-6-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-1H-benzo[de]isoquinolin-1,3(2H)-dione
    • 852282-89-4

  • Applications

    Considered a synthetic intermediate for pharmaceutical and specialty chemical research (CAS 852282-89-4, N-(2,6-Diisopropylphenyl)-6-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-1H-benzo(d,E)isoquinoline-1,3(2H)-dione), this compound is used as a building block in the preparation of polycyclic heterocycles and related derivatives in medicinal chemistry. It is also employed as a dye/pigment precursor for colorants in coatings, inks, and plastics, leveraging its extended aromatic framework and bulky substituents. In addition, it is explored as a functional material for organic electronics and photonic applications, and as a component in polymer formulations for studying structure–property relationships in π-conjugated systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.61
    methanol 5.55
    isopropanol 3.5
    water 0.04
    ethyl acetate 19.48
    n-propanol 7.67
    acetone 22.19
    n-butanol 6.7
    acetonitrile 7.4
    DMF 48.61
    toluene 22.68
    isobutanol 6.13
    1,4-dioxane 19.18
    methyl acetate 22.13
    THF 71.57
    2-butanone 29.67
    n-pentanol 8.06
    sec-butanol 5.47
    n-hexane 0.74
    ethylene glycol 1.48
    NMP 138.02
    cyclohexane 0.67
    DMSO 16.96
    n-butyl acetate 18.41
    n-octanol 3.66
    chloroform 132.46
    n-propyl acetate 19.71
    acetic acid 24.83
    dichloromethane 97.84
    cyclohexanone 48.47
    propylene glycol 3.34
    isopropyl acetate 14.76
    DMAc 85.09
    2-ethoxyethanol 13.82
    isopentanol 6.15
    n-heptane 0.64
    ethyl formate 15.47
    1,2-dichloroethane 40.92
    n-hexanol 6.64
    2-methoxyethanol 15.07
    isobutyl acetate 16.39
    tetrachloromethane 10.4
    n-pentyl acetate 20.43
    transcutol 26.38
    n-heptanol 5.46
    ethylbenzene 8.85
    MIBK 14.85
    2-propoxyethanol 24.26
    tert-butanol 4.18
    MTBE 7.02
    2-butoxyethanol 17.13
    propionic acid 17.95
    o-xylene 10.9
    formic acid 8.63
    diethyl ether 7.4
    m-xylene 13.58
    p-xylene 12.87
    chlorobenzene 39.97
    dimethyl carbonate 23.26
    n-octane 0.35
    formamide 10.45
    cyclopentanone 82.86
    2-pentanone 22.96
    anisole 17.63
    cyclopentyl methyl ether 27.94
    gamma-butyrolactone 99.57
    1-methoxy-2-propanol 15.72
    pyridine 49.89
    3-pentanone 22.95
    furfural 81.25
    n-dodecane 0.26
    diethylene glycol 10.31
    diisopropyl ether 2.52
    tert-amyl alcohol 5.66
    acetylacetone 31.73
    n-hexadecane 0.31
    acetophenone 28.89
    methyl propionate 29.37
    isopentyl acetate 18.11
    trichloroethylene 149.19
    n-nonanol 4.07
    cyclohexanol 7.64
    benzyl alcohol 20.22
    2-ethylhexanol 5.56
    isooctanol 5.18
    dipropyl ether 7.71
    1,2-dichlorobenzene 37.14
    ethyl lactate 13.48
    propylene carbonate 51.72
    n-methylformamide 21.99
    2-pentanol 4.46
    n-pentane 0.55
    1-propoxy-2-propanol 18.27
    1-methoxy-2-propyl acetate 27.36
    2-(2-methoxypropoxy) propanol 16.62
    mesitylene 5.73
    ε-caprolactone 52.47
    p-cymene 5.69
    epichlorohydrin 107.42
    1,1,1-trichloroethane 43.33
    2-aminoethanol 4.44
    morpholine-4-carbaldehyde 70.72
    sulfolane 109.79
    2,2,4-trimethylpentane 0.56
    2-methyltetrahydrofuran 35.59
    n-hexyl acetate 16.76
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 16.21
    sec-butyl acetate 14.12
    tert-butyl acetate 15.53
    decalin 0.82
    glycerin 5.6
    diglyme 29.32
    acrylic acid 22.47
    isopropyl myristate 5.61
    n-butyric acid 22.25
    acetyl acetate 17.37
    di(2-ethylhexyl) phthalate 11.55
    ethyl propionate 17.7
    nitromethane 39.78
    1,2-diethoxyethane 12.3
    benzonitrile 22.64
    trioctyl phosphate 6.94
    1-bromopropane 18.07
    gamma-valerolactone 114.21
    n-decanol 2.71
    triethyl phosphate 9.98
    4-methyl-2-pentanol 3.69
    propionitrile 11.04
    vinylene carbonate 59.51
    1,1,2-trichlorotrifluoroethane 70.22
    DMS 24.8
    cumene 5.69
    2-octanol 3.52
    2-hexanone 21.26
    octyl acetate 8.44
    limonene 6.64
    1,2-dimethoxyethane 21.98
    ethyl orthosilicate 9.25
    tributyl phosphate 8.16
    diacetone alcohol 19.67
    N,N-dimethylaniline 13.9
    acrylonitrile 17.83
    aniline 22.88
    1,3-propanediol 5.65
    bromobenzene 43.91
    dibromomethane 49.68
    1,1,2,2-tetrachloroethane 91.83
    2-methyl-cyclohexyl acetate 17.83
    tetrabutyl urea 11.7
    diisobutyl methanol 3.25
    2-phenylethanol 19.16
    styrene 10.89
    dioctyl adipate 11.99
    dimethyl sulfate 48.21
    ethyl butyrate 15.09
    methyl lactate 19.5
    butyl lactate 18.66
    diethyl carbonate 10.11
    propanediol butyl ether 11.84
    triethyl orthoformate 12.39
    p-tert-butyltoluene 5.25
    methyl 4-tert-butylbenzoate 26.0
    morpholine 27.57
    tert-butylamine 2.24
    n-dodecanol 1.86
    dimethoxymethane 29.97
    ethylene carbonate 37.67
    cyrene 35.21
    2-ethoxyethyl acetate 30.01
    2-ethylhexyl acetate 16.34
    1,2,4-trichlorobenzene 58.47
    4-methylpyridine 52.93
    dibutyl ether 4.47
    2,6-dimethyl-4-heptanol 3.25
    DEF 29.62
    dimethyl isosorbide 42.26
    tetrachloroethylene 52.76
    eugenol 24.45
    triacetin 25.89
    span 80 15.31
    1,4-butanediol 3.84
    1,1-dichloroethane 39.38
    2-methyl-1-pentanol 8.29
    methyl formate 20.94
    2-methyl-1-butanol 7.46
    n-decane 0.51
    butyronitrile 9.95
    3,7-dimethyl-1-octanol 3.93
    1-chlorooctane 3.07
    1-chlorotetradecane 1.1
    n-nonane 0.44
    undecane 0.35
    tert-butylcyclohexane 0.8
    cyclooctane 0.33
    cyclopentanol 12.14
    tetrahydropyran 18.53
    tert-amyl methyl ether 8.66
    2,5,8-trioxanonane 19.54
    1-hexene 3.92
    2-isopropoxyethanol 12.15
    2,2,2-trifluoroethanol 13.24
    methyl butyrate 22.56

    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