Anigorufone

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  • Identifiers

    CAS number
    56252-32-5

    Molecular formula
    C19H12O2

    SMILES
    C1=CC=C(C=C1)C2=C3C4=C(C=CC=C4C=C(C3=O)O)C=C2

    Safety labels

  • Odor profile

    Fragrance
    Fruity 48.71%
    Floral 41.82%
    Sweet 34.73%
    Powdery 30.81%
    Balsamic 30.79%
    Honey 30.62%
    Phenolic 30.28%
    Neroli 29.65%
    Spicy 27.22%
    Bitter 24.65%

     

    Flavor
    Bitter 91.35%
    Nitrile 20.08%
    Very strong 19.94%
    Indole 19.57%
    Animal 19.23%
    Lovage 19.16%
    Moth ball 18.78%
    Naphthelene 18.63%
    Cedarleaf 18.16%
    Tar 18.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.59 (neutral)

    Molecular weight
    272.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    606°C

    Melting point expt.

    • 123 - 125 °C

    Flash point

    • 241.31 ˚C est.

  • Synonyms

    • Anigorufone
    • 2-hydroxy-9-phenyl-1H-phenalen-1-one
    • 2-hydroxy-9-phenylphenalen-1-one
    • 1H-phenalen-1-one, 2-hydroxy-9-phenyl-
    • 2-Hydroxy-9-phenyl-phenalen-1-one
    • RefChem:112804
    • InChI=1/C19H12O2/c20-16-11-14-8-4-7-13-9-10-15(12-5-2-1-3-6-12)18(17(13)14)19(16)21/h1-11,20
    • 56252-32-5
    • orb1689874
    • 2-hydroxyl-9-phenyl-phenalenone
    • CHEMBL1163760
    • SCHEMBL25280455
    • SCHEMBL29381381
    • CHEBI:189798
    • 2W6992Y8RL
    • DTXSID601291917
    • HY-N8286
    • 2-oxidanyl-9-phenyl-phenalen-1-one
    • AKOS028108702
    • DB-323997
    • CS-0142634
    • 56252-32-5

  • Applications

    Anigorufone (CAS 56252-32-5) is used in fragrance-related formulations. In perfumery/fragrance, it is considered an odorant component and may serve as a fixative in scent blends. In cosmetics/personal care, it is evaluated as a fragrance ingredient. In household products, it can be added as a scent additive for cleaners and detergents. In industrial manufacturing, Anigorufone may function as an intermediate in the synthesis of fragrance-related compounds or as a building block for related chemicals. In coatings/inks, it may be used as a fragrance additive to impart odor. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.03
    methanol 0.97
    isopropanol 0.52
    water 0.0
    ethyl acetate 2.52
    n-propanol 0.93
    acetone 3.2
    n-butanol 0.84
    acetonitrile 0.75
    DMF 32.49
    toluene 6.27
    isobutanol 0.64
    1,4-dioxane 7.67
    methyl acetate 2.95
    THF 20.6
    2-butanone 4.55
    n-pentanol 0.86
    sec-butanol 0.5
    n-hexane 0.02
    ethylene glycol 0.75
    NMP 27.0
    cyclohexane 0.04
    DMSO 8.16
    n-butyl acetate 4.88
    n-octanol 1.75
    chloroform 2.6
    n-propyl acetate 3.35
    acetic acid 2.49
    dichloromethane 4.42
    cyclohexanone 9.57
    propylene glycol 0.65
    isopropyl acetate 3.61
    DMAc 35.21
    2-ethoxyethanol 3.3
    isopentanol 1.25
    n-heptane 0.1
    ethyl formate 2.0
    1,2-dichloroethane 6.98
    n-hexanol 1.91
    2-methoxyethanol 6.72
    isobutyl acetate 3.78
    tetrachloromethane 0.28
    n-pentyl acetate 7.15
    transcutol 21.19
    n-heptanol 2.57
    ethylbenzene 3.92
    MIBK 4.96
    2-propoxyethanol 7.79
    tert-butanol 1.04
    MTBE 1.42
    2-butoxyethanol 7.35
    propionic acid 1.65
    o-xylene 3.99
    formic acid 1.14
    diethyl ether 1.29
    m-xylene 4.38
    p-xylene 3.34
    chlorobenzene 3.54
    dimethyl carbonate 8.0
    n-octane 0.1
    formamide 3.41
    cyclopentanone 18.37
    2-pentanone 3.92
    anisole 8.29
    cyclopentyl methyl ether 5.14
    gamma-butyrolactone 17.14
    1-methoxy-2-propanol 5.21
    pyridine 18.92
    3-pentanone 3.32
    furfural 20.08
    n-dodecane 0.16
    diethylene glycol 6.35
    diisopropyl ether 0.85
    tert-amyl alcohol 0.93
    acetylacetone 10.25
    n-hexadecane 0.21
    acetophenone 11.1
    methyl propionate 4.08
    isopentyl acetate 7.38
    trichloroethylene 18.26
    n-nonanol 2.3
    cyclohexanol 0.92
    benzyl alcohol 5.68
    2-ethylhexanol 2.37
    isooctanol 2.67
    dipropyl ether 2.95
    1,2-dichlorobenzene 5.52
    ethyl lactate 3.42
    propylene carbonate 7.54
    n-methylformamide 5.72
    2-pentanol 0.52
    n-pentane 0.02
    1-propoxy-2-propanol 5.79
    1-methoxy-2-propyl acetate 12.18
    2-(2-methoxypropoxy) propanol 9.76
    mesitylene 2.56
    ε-caprolactone 9.19
    p-cymene 3.97
    epichlorohydrin 25.33
    1,1,1-trichloroethane 2.15
    2-aminoethanol 1.25
    morpholine-4-carbaldehyde 24.49
    sulfolane 22.98
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 5.52
    n-hexyl acetate 7.46
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 11.27
    sec-butyl acetate 3.75
    tert-butyl acetate 7.38
    decalin 0.2
    glycerin 2.32
    diglyme 27.33
    acrylic acid 2.77
    isopropyl myristate 4.45
    n-butyric acid 2.41
    acetyl acetate 3.5
    di(2-ethylhexyl) phthalate 5.67
    ethyl propionate 3.82
    nitromethane 6.11
    1,2-diethoxyethane 7.23
    benzonitrile 6.46
    trioctyl phosphate 3.58
    1-bromopropane 1.31
    gamma-valerolactone 27.22
    n-decanol 1.81
    triethyl phosphate 4.86
    4-methyl-2-pentanol 1.02
    propionitrile 1.46
    vinylene carbonate 8.47
    1,1,2-trichlorotrifluoroethane 15.86
    DMS 11.5
    cumene 3.09
    2-octanol 1.65
    2-hexanone 4.12
    octyl acetate 4.78
    limonene 3.43
    1,2-dimethoxyethane 11.37
    ethyl orthosilicate 4.71
    tributyl phosphate 3.67
    diacetone alcohol 9.39
    N,N-dimethylaniline 7.45
    acrylonitrile 3.86
    aniline 5.41
    1,3-propanediol 1.91
    bromobenzene 4.16
    dibromomethane 1.72
    1,1,2,2-tetrachloroethane 11.57
    2-methyl-cyclohexyl acetate 7.3
    tetrabutyl urea 6.87
    diisobutyl methanol 2.48
    2-phenylethanol 8.06
    styrene 3.75
    dioctyl adipate 7.19
    dimethyl sulfate 14.77
    ethyl butyrate 4.74
    methyl lactate 4.81
    butyl lactate 6.04
    diethyl carbonate 4.1
    propanediol butyl ether 4.97
    triethyl orthoformate 5.15
    p-tert-butyltoluene 3.67
    methyl 4-tert-butylbenzoate 14.68
    morpholine 8.1
    tert-butylamine 0.58
    n-dodecanol 1.45
    dimethoxymethane 14.59
    ethylene carbonate 5.16
    cyrene 11.02
    2-ethoxyethyl acetate 11.75
    2-ethylhexyl acetate 5.83
    1,2,4-trichlorobenzene 8.65
    4-methylpyridine 11.64
    dibutyl ether 2.92
    2,6-dimethyl-4-heptanol 2.48
    DEF 8.21
    dimethyl isosorbide 23.29
    tetrachloroethylene 7.38
    eugenol 13.99
    triacetin 10.46
    span 80 7.46
    1,4-butanediol 0.66
    1,1-dichloroethane 1.46
    2-methyl-1-pentanol 1.57
    methyl formate 4.63
    2-methyl-1-butanol 0.99
    n-decane 0.24
    butyronitrile 1.3
    3,7-dimethyl-1-octanol 2.38
    1-chlorooctane 1.52
    1-chlorotetradecane 0.82
    n-nonane 0.15
    undecane 0.19
    tert-butylcyclohexane 0.23
    cyclooctane 0.04
    cyclopentanol 1.26
    tetrahydropyran 3.62
    tert-amyl methyl ether 1.69
    2,5,8-trioxanonane 20.2
    1-hexene 0.24
    2-isopropoxyethanol 3.08
    2,2,2-trifluoroethanol 1.23
    methyl butyrate 4.59

    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