1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone

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  • Identifiers

    CAS number
    66472-04-6

    Molecular formula
    C15H24O4

    SMILES
    CC(C)C(C(CC(C)CCC(=O)C1=COC=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 43.14%
    Cooling 28.91%
    Milky 27.18%
    Mint 25.7%
    Savory 25.67%
    Buttery 20.77%
    Woody 20.55%
    Creamy 20.55%
    Roasted 20.32%
    Fruity 19.95%

     

    Flavor
    Bitter 35.81%
    Odorless 35.78%
    Bland 27.67%
    Mild 25.17%
    Sweet-like 21.86%
    Fruity 20.39%
    Cedarleaf 19.35%
    Yeasty 19.23%
    Parsley 18.87%
    Leaves 18.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.61 (neutral)

    Molecular weight
    268.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    405°C

    Melting point expt.

    • 70 - 71 °C

    Flash point

    • 164.4 ˚C est.

  • Synonyms

    • 66472-04-6
    • 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone
    • RefChem:1054186
    • Dihydro-7-hydroxymyoporone
    • 1-(furan-3-yl)-6,7-dihydroxy-4,8-dimethylnonan-1-one
    • 6,7-Dihydroxy-4,8-dimethyl-1-(3-furyl)-1-nonanone
    • 1-NONANONE, 6,7-DIHYDROXY-4,8-DIMETHYL-1-(3-FURYL)-
    • DTXSID50985111
    • CHEBI:143032
    • 66472-04-6

  • Applications

    1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone (CAS 66472-04-6) is primarily encountered as a fragrance-related compound and is often used as an odorant or fragrance intermediate in perfumery; in cosmetics and personal care formulations it may be employed to impart or modify aroma notes; in household products and cleaning formulations it can function as an odorant additive; it may also be evaluated as an intermediate in industrial manufacturing and related synthetic chemistry. The exact use depends on regional regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 626.22
    methanol 1403.49
    isopropanol 278.02
    water 2.49
    ethyl acetate 78.5
    n-propanol 294.0
    acetone 206.74
    n-butanol 210.95
    acetonitrile 70.04
    DMF 213.57
    toluene 34.65
    isobutanol 152.56
    1,4-dioxane 416.46
    methyl acetate 81.78
    THF 571.01
    2-butanone 119.45
    n-pentanol 146.24
    sec-butanol 150.54
    n-hexane 0.96
    ethylene glycol 83.31
    NMP 113.82
    cyclohexane 4.29
    DMSO 509.29
    n-butyl acetate 52.24
    n-octanol 50.15
    chloroform 105.05
    n-propyl acetate 59.9
    acetic acid 288.63
    dichloromethane 100.39
    cyclohexanone 178.98
    propylene glycol 151.64
    isopropyl acetate 55.04
    DMAc 247.88
    2-ethoxyethanol 341.11
    isopentanol 146.02
    n-heptane 1.35
    ethyl formate 79.16
    1,2-dichloroethane 67.64
    n-hexanol 102.05
    2-methoxyethanol 593.14
    isobutyl acetate 49.97
    tetrachloromethane 10.2
    n-pentyl acetate 43.03
    transcutol 507.76
    n-heptanol 58.81
    ethylbenzene 20.54
    MIBK 69.18
    2-propoxyethanol 222.48
    tert-butanol 268.33
    MTBE 83.22
    2-butoxyethanol 136.34
    propionic acid 104.17
    o-xylene 26.57
    formic acid 183.52
    diethyl ether 48.67
    m-xylene 28.7
    p-xylene 28.22
    chlorobenzene 38.02
    dimethyl carbonate 25.28
    n-octane 1.34
    formamide 217.18
    cyclopentanone 189.19
    2-pentanone 86.53
    anisole 58.2
    cyclopentyl methyl ether 81.95
    gamma-butyrolactone 163.9
    1-methoxy-2-propanol 299.5
    pyridine 124.01
    3-pentanone 41.36
    furfural 164.11
    n-dodecane 1.62
    diethylene glycol 205.63
    diisopropyl ether 12.54
    tert-amyl alcohol 152.24
    acetylacetone 116.23
    n-hexadecane 1.84
    acetophenone 68.18
    methyl propionate 51.73
    isopentyl acetate 59.84
    trichloroethylene 127.41
    n-nonanol 45.19
    cyclohexanol 123.51
    benzyl alcohol 96.05
    2-ethylhexanol 40.09
    isooctanol 47.86
    dipropyl ether 21.58
    1,2-dichlorobenzene 36.56
    ethyl lactate 50.51
    propylene carbonate 82.45
    n-methylformamide 130.12
    2-pentanol 83.04
    n-pentane 0.94
    1-propoxy-2-propanol 122.78
    1-methoxy-2-propyl acetate 76.21
    2-(2-methoxypropoxy) propanol 104.48
    mesitylene 17.07
    ε-caprolactone 132.98
    p-cymene 15.06
    epichlorohydrin 201.85
    1,1,1-trichloroethane 38.54
    2-aminoethanol 227.16
    morpholine-4-carbaldehyde 208.91
    sulfolane 191.26
    2,2,4-trimethylpentane 2.36
    2-methyltetrahydrofuran 180.71
    n-hexyl acetate 58.83
    isooctane 1.93
    2-(2-butoxyethoxy)ethanol 167.37
    sec-butyl acetate 40.98
    tert-butyl acetate 67.82
    decalin 3.26
    glycerin 182.34
    diglyme 263.8
    acrylic acid 86.55
    isopropyl myristate 23.37
    n-butyric acid 153.95
    acetyl acetate 49.1
    di(2-ethylhexyl) phthalate 36.86
    ethyl propionate 38.13
    nitromethane 247.26
    1,2-diethoxyethane 88.57
    benzonitrile 66.5
    trioctyl phosphate 24.34
    1-bromopropane 23.73
    gamma-valerolactone 292.81
    n-decanol 31.78
    triethyl phosphate 23.67
    4-methyl-2-pentanol 51.06
    propionitrile 52.76
    vinylene carbonate 74.89
    1,1,2-trichlorotrifluoroethane 158.34
    DMS 39.29
    cumene 16.08
    2-octanol 34.48
    2-hexanone 72.41
    octyl acetate 32.66
    limonene 20.38
    1,2-dimethoxyethane 305.31
    ethyl orthosilicate 23.58
    tributyl phosphate 24.73
    diacetone alcohol 129.97
    N,N-dimethylaniline 41.83
    acrylonitrile 65.55
    aniline 66.37
    1,3-propanediol 362.53
    bromobenzene 29.87
    dibromomethane 51.14
    1,1,2,2-tetrachloroethane 103.88
    2-methyl-cyclohexyl acetate 47.0
    tetrabutyl urea 36.95
    diisobutyl methanol 24.12
    2-phenylethanol 78.66
    styrene 22.41
    dioctyl adipate 41.49
    dimethyl sulfate 42.93
    ethyl butyrate 37.07
    methyl lactate 56.74
    butyl lactate 53.29
    diethyl carbonate 26.05
    propanediol butyl ether 134.62
    triethyl orthoformate 32.33
    p-tert-butyltoluene 14.56
    methyl 4-tert-butylbenzoate 65.55
    morpholine 443.46
    tert-butylamine 83.23
    n-dodecanol 22.1
    dimethoxymethane 153.45
    ethylene carbonate 66.37
    cyrene 108.02
    2-ethoxyethyl acetate 74.33
    2-ethylhexyl acetate 40.67
    1,2,4-trichlorobenzene 43.33
    4-methylpyridine 97.93
    dibutyl ether 25.7
    2,6-dimethyl-4-heptanol 24.12
    DEF 75.9
    dimethyl isosorbide 130.62
    tetrachloroethylene 71.07
    eugenol 76.41
    triacetin 67.77
    span 80 91.85
    1,4-butanediol 150.97
    1,1-dichloroethane 49.52
    2-methyl-1-pentanol 105.99
    methyl formate 96.05
    2-methyl-1-butanol 118.69
    n-decane 2.75
    butyronitrile 73.65
    3,7-dimethyl-1-octanol 43.87
    1-chlorooctane 14.88
    1-chlorotetradecane 5.91
    n-nonane 2.2
    undecane 2.01
    tert-butylcyclohexane 2.94
    cyclooctane 1.61
    cyclopentanol 129.91
    tetrahydropyran 217.74
    tert-amyl methyl ether 50.7
    2,5,8-trioxanonane 183.76
    1-hexene 7.86
    2-isopropoxyethanol 175.1
    2,2,2-trifluoroethanol 66.78
    methyl butyrate 62.82

    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