Cacalonol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    54707-45-8

    Molecular formula
    C15H14O3

    SMILES
    CC1=C2C(=CC=C1)C(=O)C3=C(C2(C)O)C(=CO3)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.84%
    Powdery 44.26%
    Musk 40.65%
    Floral 40.41%
    Phenolic 34.81%
    Dry 32.09%
    Fruity 31.79%
    Woody 28.64%
    Neroli 27.11%
    Vanilla 26.56%

     

    Flavor
    Bitter 84.4%
    Parsley 20.99%
    Cedarleaf 20.65%
    Very strong 20.47%
    Eugenol 20.36%
    Indole 20.35%
    Ripe apricot 20.24%
    Red fruit 20.19%
    Lovage 20.06%
    Sweet-like 19.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.87 (neutral)

    Molecular weight
    242.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    497°C

    Flash point

    • 198.94 ˚C est.

  • Synonyms

    • Cacalonol
    • 54707-45-8
    • 4-hydroxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one
    • 4-hydroxy-3,4,5-trimethylbenzo(f)(1)benzofuran-9-one
    • RefChem:122532
    • 4-Hydroxy-3,4,5-trimethylnaphtho(2,3-b)furan-9(4H)-one
    • 4-Hydroxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
    • Naphtho(2,3-b)furan-9(4H)-one, 4-hydroxy-3,4,5-trimethyl-
    • DTXSID40970011
    • 54707-45-8

  • Applications

    Cacalonol (CAS 54707-45-8) is used primarily as a solvent and fragrance ingredient across multiple industries; it is commonly evaluated as an intermediate in chemical synthesis; it may function as an odorant or fixative in perfumery; it is employed in cosmetics and personal care as a fragrance component or solvent; in household products as a solvent and fragrance ingredient; it is used as a solvent or additive in coatings and inks; it may act as a processing aid in polymers and plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.49
    methanol 17.82
    isopropanol 9.62
    water 0.02
    ethyl acetate 21.66
    n-propanol 14.29
    acetone 35.72
    n-butanol 14.07
    acetonitrile 12.98
    DMF 117.7
    toluene 31.69
    isobutanol 10.7
    1,4-dioxane 78.7
    methyl acetate 26.84
    THF 121.38
    2-butanone 33.95
    n-pentanol 15.39
    sec-butanol 7.81
    n-hexane 0.91
    ethylene glycol 4.51
    NMP 107.26
    cyclohexane 2.25
    DMSO 46.0
    n-butyl acetate 27.99
    n-octanol 13.82
    chloroform 69.39
    n-propyl acetate 23.46
    acetic acid 15.71
    dichloromethane 67.24
    cyclohexanone 78.98
    propylene glycol 3.1
    isopropyl acetate 19.4
    DMAc 70.89
    2-ethoxyethanol 26.69
    isopentanol 13.84
    n-heptane 1.67
    ethyl formate 26.41
    1,2-dichloroethane 46.83
    n-hexanol 23.06
    2-methoxyethanol 46.93
    isobutyl acetate 23.14
    tetrachloromethane 9.3
    n-pentyl acetate 31.86
    transcutol 32.93
    n-heptanol 16.28
    ethylbenzene 15.37
    MIBK 24.46
    2-propoxyethanol 52.71
    tert-butanol 13.31
    MTBE 11.11
    2-butoxyethanol 30.38
    propionic acid 12.09
    o-xylene 17.73
    formic acid 7.61
    diethyl ether 14.75
    m-xylene 21.88
    p-xylene 23.04
    chlorobenzene 41.18
    dimethyl carbonate 24.69
    n-octane 1.25
    formamide 16.71
    cyclopentanone 95.47
    2-pentanone 30.71
    anisole 30.93
    cyclopentyl methyl ether 39.86
    gamma-butyrolactone 91.71
    1-methoxy-2-propanol 29.4
    pyridine 76.97
    3-pentanone 24.74
    furfural 91.76
    n-dodecane 1.5
    diethylene glycol 40.15
    diisopropyl ether 6.01
    tert-amyl alcohol 9.12
    acetylacetone 42.86
    n-hexadecane 1.86
    acetophenone 38.12
    methyl propionate 26.61
    isopentyl acetate 30.1
    trichloroethylene 92.06
    n-nonanol 14.54
    cyclohexanol 16.75
    benzyl alcohol 31.68
    2-ethylhexanol 15.45
    isooctanol 14.16
    dipropyl ether 13.49
    1,2-dichlorobenzene 37.75
    ethyl lactate 13.9
    propylene carbonate 44.84
    n-methylformamide 38.0
    2-pentanol 7.45
    n-pentane 0.86
    1-propoxy-2-propanol 28.19
    1-methoxy-2-propyl acetate 35.14
    2-(2-methoxypropoxy) propanol 25.77
    mesitylene 12.6
    ε-caprolactone 56.13
    p-cymene 14.21
    epichlorohydrin 103.99
    1,1,1-trichloroethane 33.77
    2-aminoethanol 8.62
    morpholine-4-carbaldehyde 99.94
    sulfolane 87.67
    2,2,4-trimethylpentane 0.81
    2-methyltetrahydrofuran 50.73
    n-hexyl acetate 34.23
    isooctane 0.95
    2-(2-butoxyethoxy)ethanol 30.71
    sec-butyl acetate 16.91
    tert-butyl acetate 23.65
    decalin 2.31
    glycerin 8.43
    diglyme 58.88
    acrylic acid 13.8
    isopropyl myristate 15.56
    n-butyric acid 21.86
    acetyl acetate 18.9
    di(2-ethylhexyl) phthalate 21.21
    ethyl propionate 20.51
    nitromethane 39.52
    1,2-diethoxyethane 21.78
    benzonitrile 44.2
    trioctyl phosphate 14.89
    1-bromopropane 18.45
    gamma-valerolactone 126.4
    n-decanol 11.21
    triethyl phosphate 15.17
    4-methyl-2-pentanol 7.42
    propionitrile 18.53
    vinylene carbonate 48.75
    1,1,2-trichlorotrifluoroethane 45.59
    DMS 32.63
    cumene 11.86
    2-octanol 11.93
    2-hexanone 29.14
    octyl acetate 19.34
    limonene 15.82
    1,2-dimethoxyethane 57.92
    ethyl orthosilicate 14.48
    tributyl phosphate 15.28
    diacetone alcohol 28.6
    N,N-dimethylaniline 24.01
    acrylonitrile 28.73
    aniline 30.55
    1,3-propanediol 17.49
    bromobenzene 42.61
    dibromomethane 37.59
    1,1,2,2-tetrachloroethane 62.2
    2-methyl-cyclohexyl acetate 27.8
    tetrabutyl urea 24.64
    diisobutyl methanol 9.86
    2-phenylethanol 42.61
    styrene 17.26
    dioctyl adipate 21.66
    dimethyl sulfate 36.59
    ethyl butyrate 20.66
    methyl lactate 16.4
    butyl lactate 20.34
    diethyl carbonate 15.48
    propanediol butyl ether 19.11
    triethyl orthoformate 17.4
    p-tert-butyltoluene 13.44
    methyl 4-tert-butylbenzoate 35.19
    morpholine 71.36
    tert-butylamine 7.45
    n-dodecanol 8.62
    dimethoxymethane 77.81
    ethylene carbonate 38.81
    cyrene 42.92
    2-ethoxyethyl acetate 38.31
    2-ethylhexyl acetate 25.68
    1,2,4-trichlorobenzene 42.66
    4-methylpyridine 69.89
    dibutyl ether 12.8
    2,6-dimethyl-4-heptanol 9.86
    DEF 39.68
    dimethyl isosorbide 55.58
    tetrachloroethylene 43.59
    eugenol 38.81
    triacetin 28.1
    span 80 22.29
    1,4-butanediol 8.85
    1,1-dichloroethane 30.11
    2-methyl-1-pentanol 14.78
    methyl formate 40.54
    2-methyl-1-butanol 11.78
    n-decane 2.35
    butyronitrile 20.76
    3,7-dimethyl-1-octanol 12.8
    1-chlorooctane 11.05
    1-chlorotetradecane 5.49
    n-nonane 1.88
    undecane 1.85
    tert-butylcyclohexane 2.14
    cyclooctane 1.0
    cyclopentanol 20.26
    tetrahydropyran 47.25
    tert-amyl methyl ether 10.31
    2,5,8-trioxanonane 45.41
    1-hexene 5.04
    2-isopropoxyethanol 21.56
    2,2,2-trifluoroethanol 8.89
    methyl butyrate 28.29

    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