7-Hydroxyheptaphylline

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  • Identifiers

    CAS number
    170663-15-7

    Molecular formula
    C18H17NO3

    SMILES
    CC(=CCC1=C(C(=CC2=C1NC3=C2C=CC(=C3)O)C=O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 48.34%
    Phenolic 35.92%
    Sweet 31.89%
    Spicy 31.11%
    Bitter 26.92%
    Dry 25.84%
    Animal 25.79%
    Woody 23.82%
    Odorless 23.62%
    Floral 22.24%

     

    Flavor
    Bitter 94.45%
    Odorless 22.39%
    Cedarleaf 19.77%
    Nitrile 19.55%
    Lovage 19.33%
    Very strong 19.02%
    Parsley 18.88%
    Sweet-like 18.45%
    Indole 18.44%
    Broom 18.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    9.82 (weak base)

    Molecular weight
    295.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    657°C

    Melting point expt.

    • 194 - 196 °C

    Flash point

    • 267.75 ˚C est.

  • Synonyms

    • 7-Hydroxyheptaphylline
    • 170663-15-7
    • 2,7-dihydroxy-1-(3-methylbut-2-en-1-yl)-9H-carbazole-3-carbaldehyde
    • 3-Formyl-2,7-dihydroxy-1-prenylcarbazole
    • 2,7-dihydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
    • 2,7-Dihydroxy-1-(3-methyl-2-butenyl)-9H-carbazole-3-carboxaldehyde, 9CI
    • RefChem:106223
    • CHEMBL1689801
    • SCHEMBL19330778
    • CHEBI:69933
    • DTXSID601314305
    • Q27138277
    • 170663-15-7

  • Applications

    7-Hydroxyheptaphylline (CAS 170663-15-7) is primarily discussed as a chemical building block and intermediate in organic synthesis, with potential utility across several specialty sectors. In pharmaceutical and fine chemicals development, it may serve as an intermediate for synthetic routes to more complex molecules. In cosmetics and personal care, it may be evaluated as a minor functional ingredient or fragrance-related precursor. In the polymers and plastics sector, it may be explored as an additive or modifier to influence formulation properties. In coatings and inks, it could be considered as a chemical modifier or component of advanced formulations. In industrial manufacturing, it may be used as a starting material or intermediate for synthesis routes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.58
    methanol 15.6
    isopropanol 7.99
    water 0.08
    ethyl acetate 18.44
    n-propanol 11.56
    acetone 27.36
    n-butanol 9.84
    acetonitrile 5.96
    DMF 169.24
    toluene 0.89
    isobutanol 6.93
    1,4-dioxane 23.37
    methyl acetate 27.29
    THF 90.72
    2-butanone 36.57
    n-pentanol 8.94
    sec-butanol 7.21
    n-hexane 0.06
    ethylene glycol 11.73
    NMP 71.27
    cyclohexane 0.05
    DMSO 109.56
    n-butyl acetate 16.98
    n-octanol 4.14
    chloroform 4.27
    n-propyl acetate 19.69
    acetic acid 39.51
    dichloromethane 2.94
    cyclohexanone 35.56
    propylene glycol 22.88
    isopropyl acetate 15.64
    DMAc 214.45
    2-ethoxyethanol 58.47
    isopentanol 10.1
    n-heptane 0.09
    ethyl formate 11.46
    1,2-dichloroethane 3.53
    n-hexanol 7.34
    2-methoxyethanol 119.18
    isobutyl acetate 14.89
    tetrachloromethane 0.6
    n-pentyl acetate 13.98
    transcutol 150.27
    n-heptanol 6.7
    ethylbenzene 1.04
    MIBK 15.08
    2-propoxyethanol 64.08
    tert-butanol 10.72
    MTBE 5.37
    2-butoxyethanol 35.62
    propionic acid 23.27
    o-xylene 0.93
    formic acid 23.54
    diethyl ether 3.24
    m-xylene 1.06
    p-xylene 1.94
    chlorobenzene 2.0
    dimethyl carbonate 27.2
    n-octane 0.08
    formamide 52.59
    cyclopentanone 69.55
    2-pentanone 21.94
    anisole 8.16
    cyclopentyl methyl ether 11.63
    gamma-butyrolactone 75.19
    1-methoxy-2-propanol 87.61
    pyridine 17.61
    3-pentanone 13.62
    furfural 49.04
    n-dodecane 0.12
    diethylene glycol 67.69
    diisopropyl ether 1.39
    tert-amyl alcohol 9.76
    acetylacetone 41.79
    n-hexadecane 0.14
    acetophenone 16.86
    methyl propionate 29.08
    isopentyl acetate 18.92
    trichloroethylene 13.09
    n-nonanol 4.88
    cyclohexanol 5.67
    benzyl alcohol 14.21
    2-ethylhexanol 4.78
    isooctanol 6.32
    dipropyl ether 4.59
    1,2-dichlorobenzene 2.65
    ethyl lactate 22.87
    propylene carbonate 34.41
    n-methylformamide 49.75
    2-pentanol 5.11
    n-pentane 0.04
    1-propoxy-2-propanol 39.79
    1-methoxy-2-propyl acetate 41.73
    2-(2-methoxypropoxy) propanol 40.89
    mesitylene 0.75
    ε-caprolactone 37.65
    p-cymene 1.47
    epichlorohydrin 63.79
    1,1,1-trichloroethane 3.08
    2-aminoethanol 22.51
    morpholine-4-carbaldehyde 108.8
    sulfolane 89.45
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 23.08
    n-hexyl acetate 13.02
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 55.27
    sec-butyl acetate 14.45
    tert-butyl acetate 18.97
    decalin 0.12
    glycerin 60.02
    diglyme 85.41
    acrylic acid 27.4
    isopropyl myristate 5.8
    n-butyric acid 26.15
    acetyl acetate 13.74
    di(2-ethylhexyl) phthalate 11.0
    ethyl propionate 16.7
    nitromethane 84.25
    1,2-diethoxyethane 24.16
    benzonitrile 8.71
    trioctyl phosphate 7.2
    1-bromopropane 1.22
    gamma-valerolactone 119.22
    n-decanol 3.79
    triethyl phosphate 10.78
    4-methyl-2-pentanol 4.96
    propionitrile 7.2
    vinylene carbonate 26.84
    1,1,2-trichlorotrifluoroethane 63.45
    DMS 25.44
    cumene 1.06
    2-octanol 4.01
    2-hexanone 19.68
    octyl acetate 8.28
    limonene 1.71
    1,2-dimethoxyethane 69.7
    ethyl orthosilicate 9.32
    tributyl phosphate 8.86
    diacetone alcohol 45.96
    N,N-dimethylaniline 6.35
    acrylonitrile 14.33
    aniline 5.74
    1,3-propanediol 37.15
    bromobenzene 1.36
    dibromomethane 1.27
    1,1,2,2-tetrachloroethane 11.03
    2-methyl-cyclohexyl acetate 14.0
    tetrabutyl urea 12.99
    diisobutyl methanol 3.52
    2-phenylethanol 14.06
    styrene 1.21
    dioctyl adipate 12.36
    dimethyl sulfate 49.76
    ethyl butyrate 12.06
    methyl lactate 43.12
    butyl lactate 22.08
    diethyl carbonate 10.28
    propanediol butyl ether 33.13
    triethyl orthoformate 12.03
    p-tert-butyltoluene 1.49
    methyl 4-tert-butylbenzoate 20.48
    morpholine 47.38
    tert-butylamine 2.67
    n-dodecanol 2.79
    dimethoxymethane 72.7
    ethylene carbonate 20.53
    cyrene 47.05
    2-ethoxyethyl acetate 32.18
    2-ethylhexyl acetate 12.7
    1,2,4-trichlorobenzene 5.06
    4-methylpyridine 13.85
    dibutyl ether 3.96
    2,6-dimethyl-4-heptanol 3.52
    DEF 33.94
    dimethyl isosorbide 56.85
    tetrachloroethylene 5.61
    eugenol 27.58
    triacetin 28.42
    span 80 28.27
    1,4-butanediol 12.97
    1,1-dichloroethane 2.43
    2-methyl-1-pentanol 9.56
    methyl formate 32.12
    2-methyl-1-butanol 8.51
    n-decane 0.16
    butyronitrile 6.58
    3,7-dimethyl-1-octanol 4.99
    1-chlorooctane 0.93
    1-chlorotetradecane 0.57
    n-nonane 0.12
    undecane 0.14
    tert-butylcyclohexane 0.14
    cyclooctane 0.03
    cyclopentanol 10.19
    tetrahydropyran 9.93
    tert-amyl methyl ether 5.43
    2,5,8-trioxanonane 61.76
    1-hexene 0.49
    2-isopropoxyethanol 36.89
    2,2,2-trifluoroethanol 17.65
    methyl butyrate 23.13

    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