(4S,6R)-1-(3-Furanyl)-6-hydroxy-4,8-dimethyl-1-nonanone

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  • Identifiers

    CAS number
    72145-16-5

    Molecular formula
    C15H24O3

    SMILES
    C[C@@H](CCC(=O)C1=COC=C1)C[C@@H](CC(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Mint 28.89%
    Odorless 27.2%
    Roasted 26.64%
    Fruity 26.59%
    Sweet 24.53%
    Cooling 24.17%
    Milky 22.86%
    Woody 21.76%
    Savory 21.51%
    Nutty 20.93%

     

    Flavor
    Herbal 32.53%
    Mild 27.04%
    Bitter 26.36%
    Bland 22.41%
    Odorless 22.05%
    Cedarleaf 20.09%
    Yeasty 19.78%
    Green pepper 19.62%
    Syrup 19.4%
    Parsley 19.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.54 (neutral)

    Molecular weight
    252.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point

    • 141.93 ˚C est.

  • Synonyms

    • 6-Myoporol
    • 6965H9ZYQ3
    • 72145-16-5
    • RefChem:1050530
    • (4S,6R)-1-(3-Furanyl)-6-hydroxy-4,8-dimethyl-1-nonanone
    • 4,8-Dimethyl-1-(3-furyl)-6-hydroxy-1-nonanone
    • UNII-6965H9ZYQ3
    • 6-MYOPOROL, (-)-
    • Q27264318
    • 1-NONANONE, 4,8-DIMETHYL-1-(3-FURYL)-6-HYDROXY-
    • 1-Nonanone, 1-(3-furanyl)-6-hydroxy-4,8-dimethyl-, (4S,6R)-
    • 72145-16-5

  • Applications

    The chemical (4S,6R)-1-(3-Furanyl)-6-hydroxy-4,8-dimethyl-1-nonanone (CAS 72145-16-5) is a chiral furyl-containing ketone commonly used as a synthetic intermediate and building block in fragrance chemistry. In perfumery it can function as an odorant and as a precursor for the synthesis of aroma compounds, while in cosmetics and personal care it may be evaluated as a fragrance ingredient or aroma-related intermediate. The compound may also be explored as a flavor/aroma precursor for flavor formulations, subject to regulatory considerations. In industrial manufacturing it serves as an intermediate for the preparation of more complex specialty chemicals and can act as a chiral building block for further transformations in research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1425.17
    methanol 2156.86
    isopropanol 965.79
    water 0.4
    ethyl acetate 367.08
    n-propanol 918.22
    acetone 788.13
    n-butanol 700.02
    acetonitrile 346.59
    DMF 596.15
    toluene 150.32
    isobutanol 571.91
    1,4-dioxane 846.97
    methyl acetate 288.0
    THF 1381.98
    2-butanone 457.38
    n-pentanol 441.37
    sec-butanol 543.86
    n-hexane 13.47
    ethylene glycol 100.38
    NMP 363.33
    cyclohexane 34.83
    DMSO 844.61
    n-butyl acetate 249.66
    n-octanol 127.55
    chloroform 680.02
    n-propyl acetate 232.95
    acetic acid 520.87
    dichloromethane 542.0
    cyclohexanone 589.81
    propylene glycol 290.62
    isopropyl acetate 240.19
    DMAc 479.69
    2-ethoxyethanol 505.33
    isopentanol 488.3
    n-heptane 8.55
    ethyl formate 236.0
    1,2-dichloroethane 359.43
    n-hexanol 374.57
    2-methoxyethanol 906.39
    isobutyl acetate 182.91
    tetrachloromethane 66.64
    n-pentyl acetate 144.35
    transcutol 1223.95
    n-heptanol 137.95
    ethylbenzene 72.25
    MIBK 248.83
    2-propoxyethanol 541.94
    tert-butanol 757.02
    MTBE 398.38
    2-butoxyethanol 267.71
    propionic acid 311.58
    o-xylene 87.37
    formic acid 167.64
    diethyl ether 373.17
    m-xylene 105.81
    p-xylene 99.56
    chlorobenzene 184.53
    dimethyl carbonate 76.17
    n-octane 4.73
    formamide 205.93
    cyclopentanone 559.98
    2-pentanone 381.28
    anisole 173.04
    cyclopentyl methyl ether 349.89
    gamma-butyrolactone 491.91
    1-methoxy-2-propanol 617.4
    pyridine 397.3
    3-pentanone 196.48
    furfural 379.09
    n-dodecane 5.23
    diethylene glycol 368.35
    diisopropyl ether 76.25
    tert-amyl alcohol 462.87
    acetylacetone 326.77
    n-hexadecane 6.13
    acetophenone 170.33
    methyl propionate 216.4
    isopentyl acetate 240.06
    trichloroethylene 603.56
    n-nonanol 110.94
    cyclohexanol 430.27
    benzyl alcohol 212.17
    2-ethylhexanol 153.98
    isooctanol 110.09
    dipropyl ether 130.56
    1,2-dichlorobenzene 154.86
    ethyl lactate 120.12
    propylene carbonate 270.41
    n-methylformamide 309.67
    2-pentanol 333.47
    n-pentane 12.51
    1-propoxy-2-propanol 353.6
    1-methoxy-2-propyl acetate 263.51
    2-(2-methoxypropoxy) propanol 241.04
    mesitylene 65.48
    ε-caprolactone 411.44
    p-cymene 55.3
    epichlorohydrin 616.43
    1,1,1-trichloroethane 280.9
    2-aminoethanol 373.25
    morpholine-4-carbaldehyde 435.69
    sulfolane 473.61
    2,2,4-trimethylpentane 13.36
    2-methyltetrahydrofuran 667.09
    n-hexyl acetate 203.73
    isooctane 11.37
    2-(2-butoxyethoxy)ethanol 373.86
    sec-butyl acetate 154.85
    tert-butyl acetate 239.4
    decalin 16.16
    glycerin 258.43
    diglyme 582.5
    acrylic acid 205.71
    isopropyl myristate 77.29
    n-butyric acid 518.91
    acetyl acetate 170.63
    di(2-ethylhexyl) phthalate 92.85
    ethyl propionate 152.48
    nitromethane 485.87
    1,2-diethoxyethane 286.37
    benzonitrile 211.14
    trioctyl phosphate 62.03
    1-bromopropane 211.0
    gamma-valerolactone 687.95
    n-decanol 79.35
    triethyl phosphate 70.85
    4-methyl-2-pentanol 164.2
    propionitrile 280.83
    vinylene carbonate 226.59
    1,1,2-trichlorotrifluoroethane 402.74
    DMS 132.75
    cumene 55.81
    2-octanol 86.62
    2-hexanone 274.83
    octyl acetate 103.13
    limonene 81.51
    1,2-dimethoxyethane 638.89
    ethyl orthosilicate 74.6
    tributyl phosphate 75.82
    diacetone alcohol 317.72
    N,N-dimethylaniline 113.51
    acrylonitrile 252.56
    aniline 230.54
    1,3-propanediol 532.84
    bromobenzene 157.64
    dibromomethane 339.36
    1,1,2,2-tetrachloroethane 493.68
    2-methyl-cyclohexyl acetate 144.84
    tetrabutyl urea 96.39
    diisobutyl methanol 81.19
    2-phenylethanol 205.9
    styrene 85.97
    dioctyl adipate 120.01
    dimethyl sulfate 112.85
    ethyl butyrate 151.71
    methyl lactate 143.49
    butyl lactate 149.63
    diethyl carbonate 98.69
    propanediol butyl ether 292.54
    triethyl orthoformate 114.08
    p-tert-butyltoluene 53.25
    methyl 4-tert-butylbenzoate 157.84
    morpholine 1110.92
    tert-butylamine 364.91
    n-dodecanol 58.55
    dimethoxymethane 405.42
    ethylene carbonate 213.92
    cyrene 198.56
    2-ethoxyethyl acetate 213.99
    2-ethylhexyl acetate 170.62
    1,2,4-trichlorobenzene 182.86
    4-methylpyridine 343.56
    dibutyl ether 109.65
    2,6-dimethyl-4-heptanol 81.19
    DEF 263.22
    dimethyl isosorbide 300.69
    tetrachloroethylene 305.69
    eugenol 165.78
    triacetin 188.46
    span 80 209.09
    1,4-butanediol 218.92
    1,1-dichloroethane 391.97
    2-methyl-1-pentanol 313.47
    methyl formate 201.45
    2-methyl-1-butanol 419.15
    n-decane 9.45
    butyronitrile 381.94
    3,7-dimethyl-1-octanol 130.1
    1-chlorooctane 59.8
    1-chlorotetradecane 20.7
    n-nonane 8.36
    undecane 6.68
    tert-butylcyclohexane 15.96
    cyclooctane 8.44
    cyclopentanol 417.73
    tetrahydropyran 870.15
    tert-amyl methyl ether 211.33
    2,5,8-trioxanonane 374.78
    1-hexene 91.94
    2-isopropoxyethanol 319.71
    2,2,2-trifluoroethanol 115.02
    methyl butyrate 239.37

    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