Hydroxyanigorufone

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  • Identifiers

    CAS number
    56252-02-9

    Molecular formula
    C19H12O3

    SMILES
    C1=CC2=C3C(=C1)C=C(C(=O)C3=C(C=C2)C4=CC=C(C=C4)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 48.06%
    Fruity 37.41%
    Sweet 33.67%
    Odorless 31.08%
    Balsamic 27.95%
    Spicy 27.78%
    Bitter 27.58%
    Powdery 27.08%
    Vanilla 25.06%
    Burnt 24.74%

     

    Flavor
    Bitter 95.06%
    Very strong 20.19%
    Indole 19.71%
    Nitrile 19.65%
    Lovage 19.1%
    Cedarleaf 18.52%
    Moth ball 18.47%
    Odorless 18.39%
    Sweet-like 18.27%
    Naphthelene 18.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.97 (weak base)

    Molecular weight
    288.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    668°C

    Melting point expt.

    • 238 - 242 °C

    Flash point

    • 269.0 ˚C est.

  • Synonyms

    • Hydroxyanigorufone
    • 56252-02-9
    • 2-hydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one
    • DTXSID001316177
    • RefChem:1087051
    • DTXCID201746041
    • 2-hydroxy-9-(4-hydroxyphenyl)phenalen-1-one
    • Emenolone
    • orb1682401
    • CHEMBL1165215
    • SCHEMBL20983238
    • CHEBI:180750
    • HY-N9127
    • AKOS040761853
    • CS-0158805
    • 2-hydroxy-9-(p-hydroxyphenyl)-phenalen-1-one
    • 56252-02-9

  • Applications

    Hydroxyanigorufone (CAS 56252-02-9) is a hydroxy-substituted derivative of anigorufone that is primarily considered in fragrance chemistry as an intermediate and as a potential odorant component. In practical formulations, it may serve as a fragrance ingredient or a fixative in perfumery, and it can be evaluated for use in cosmetics and personal care products as a fragrance material or synthetic intermediate. It is often considered for inclusion in household cleaning products and air fresheners as a perfuming agent, and can also be used in coatings and inks as a fragrance additive or scent-release component. In industrial manufacturing contexts, it functions as a chemical intermediate for the synthesis of aromatic fragrance materials, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.51
    methanol 0.48
    isopropanol 0.32
    water 0.0
    ethyl acetate 0.69
    n-propanol 0.44
    acetone 1.02
    n-butanol 0.42
    acetonitrile 0.26
    DMF 5.56
    toluene 0.85
    isobutanol 0.26
    1,4-dioxane 3.07
    methyl acetate 0.76
    THF 8.52
    2-butanone 1.27
    n-pentanol 0.4
    sec-butanol 0.26
    n-hexane 0.0
    ethylene glycol 0.76
    NMP 2.77
    cyclohexane 0.0
    DMSO 3.85
    n-butyl acetate 1.5
    n-octanol 0.97
    chloroform 0.09
    n-propyl acetate 0.97
    acetic acid 1.26
    dichloromethane 0.15
    cyclohexanone 2.03
    propylene glycol 0.71
    isopropyl acetate 1.34
    DMAc 10.87
    2-ethoxyethanol 2.76
    isopentanol 0.62
    n-heptane 0.02
    ethyl formate 0.54
    1,2-dichloroethane 0.32
    n-hexanol 0.74
    2-methoxyethanol 5.71
    isobutyl acetate 1.12
    tetrachloromethane 0.03
    n-pentyl acetate 2.79
    transcutol 20.97
    n-heptanol 1.32
    ethylbenzene 0.72
    MIBK 1.83
    2-propoxyethanol 6.08
    tert-butanol 0.7
    MTBE 0.56
    2-butoxyethanol 5.84
    propionic acid 0.63
    o-xylene 0.76
    formic acid 1.04
    diethyl ether 0.32
    m-xylene 0.82
    p-xylene 0.61
    chlorobenzene 0.36
    dimethyl carbonate 2.21
    n-octane 0.02
    formamide 2.5
    cyclopentanone 3.22
    2-pentanone 1.11
    anisole 3.02
    cyclopentyl methyl ether 1.21
    gamma-butyrolactone 3.15
    1-methoxy-2-propanol 4.57
    pyridine 3.62
    3-pentanone 0.78
    furfural 4.59
    n-dodecane 0.06
    diethylene glycol 6.56
    diisopropyl ether 0.28
    tert-amyl alcohol 0.52
    acetylacetone 3.68
    n-hexadecane 0.07
    acetophenone 3.46
    methyl propionate 1.02
    isopentyl acetate 2.67
    trichloroethylene 1.08
    n-nonanol 1.41
    cyclohexanol 0.37
    benzyl alcohol 2.29
    2-ethylhexanol 0.9
    isooctanol 1.41
    dipropyl ether 1.13
    1,2-dichlorobenzene 0.62
    ethyl lactate 1.82
    propylene carbonate 1.59
    n-methylformamide 1.58
    2-pentanol 0.27
    n-pentane 0.0
    1-propoxy-2-propanol 4.34
    1-methoxy-2-propyl acetate 6.38
    2-(2-methoxypropoxy) propanol 8.53
    mesitylene 0.6
    ε-caprolactone 2.21
    p-cymene 1.16
    epichlorohydrin 4.51
    1,1,1-trichloroethane 0.17
    2-aminoethanol 1.09
    morpholine-4-carbaldehyde 7.14
    sulfolane 4.7
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.31
    n-hexyl acetate 3.1
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 10.81
    sec-butyl acetate 1.32
    tert-butyl acetate 3.52
    decalin 0.03
    glycerin 2.98
    diglyme 18.88
    acrylic acid 1.09
    isopropyl myristate 2.44
    n-butyric acid 0.89
    acetyl acetate 1.2
    di(2-ethylhexyl) phthalate 3.07
    ethyl propionate 1.18
    nitromethane 2.25
    1,2-diethoxyethane 5.46
    benzonitrile 1.49
    trioctyl phosphate 2.0
    1-bromopropane 0.08
    gamma-valerolactone 8.12
    n-decanol 1.16
    triethyl phosphate 2.12
    4-methyl-2-pentanol 0.52
    propionitrile 0.47
    vinylene carbonate 1.89
    1,1,2-trichlorotrifluoroethane 5.57
    DMS 4.23
    cumene 0.73
    2-octanol 0.82
    2-hexanone 1.27
    octyl acetate 2.45
    limonene 0.82
    1,2-dimethoxyethane 6.05
    ethyl orthosilicate 2.27
    tributyl phosphate 1.94
    diacetone alcohol 5.25
    N,N-dimethylaniline 2.6
    acrylonitrile 1.08
    aniline 1.49
    1,3-propanediol 1.82
    bromobenzene 0.32
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.93
    2-methyl-cyclohexyl acetate 2.86
    tetrabutyl urea 3.86
    diisobutyl methanol 1.19
    2-phenylethanol 3.67
    styrene 0.7
    dioctyl adipate 4.14
    dimethyl sulfate 3.71
    ethyl butyrate 1.72
    methyl lactate 2.66
    butyl lactate 3.47
    diethyl carbonate 1.6
    propanediol butyl ether 4.47
    triethyl orthoformate 2.62
    p-tert-butyltoluene 1.18
    methyl 4-tert-butylbenzoate 7.88
    morpholine 3.02
    tert-butylamine 0.28
    n-dodecanol 0.94
    dimethoxymethane 5.37
    ethylene carbonate 1.23
    cyrene 5.88
    2-ethoxyethyl acetate 6.38
    2-ethylhexyl acetate 1.96
    1,2,4-trichlorobenzene 1.32
    4-methylpyridine 1.88
    dibutyl ether 1.58
    2,6-dimethyl-4-heptanol 1.19
    DEF 1.81
    dimethyl isosorbide 15.36
    tetrachloroethylene 0.69
    eugenol 7.93
    triacetin 5.69
    span 80 5.42
    1,4-butanediol 0.54
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 0.69
    methyl formate 1.15
    2-methyl-1-butanol 0.41
    n-decane 0.08
    butyronitrile 0.41
    3,7-dimethyl-1-octanol 1.38
    1-chlorooctane 0.45
    1-chlorotetradecane 0.32
    n-nonane 0.04
    undecane 0.07
    tert-butylcyclohexane 0.04
    cyclooctane 0.01
    cyclopentanol 0.39
    tetrahydropyran 0.89
    tert-amyl methyl ether 0.64
    2,5,8-trioxanonane 16.27
    1-hexene 0.03
    2-isopropoxyethanol 2.28
    2,2,2-trifluoroethanol 0.58
    methyl butyrate 1.21

    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