4-(L-Menthoxy)-2-butanone

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  • Identifiers

    CAS number
    886449-15-6

    Molecular formula
    C14H26O2

    SMILES
    C[C@@H]1CC[C@H]([C@@H](C1)OCCC(=O)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Mint 71.11%
    Floral 69.13%
    Herbal 64.78%
    Sweet 53.21%
    Woody 51.33%
    Cooling 48.18%
    Fresh 47.47%
    Fruity 44.49%
    Camphoreous 38.88%
    Rose 36.15%

     

    Flavor
    Fruity 59.01%
    Herbal 50.78%
    Minty 45.73%
    Tropical 44.47%
    Green 37.39%
    Sweet 37.16%
    Fruit 33.66%
    Herb 32.59%
    Mint 30.31%
    Floral 29.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.14 (weak base)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    290°C

    Flash point

    • 106.37 ˚C est.

  • Synonyms

    • Fema No. 4869
    • 3ZM4QG0G0E
    • 4-(L-Menthoxy)-2-butanone
    • UNII-3ZM4QG0G0E
    • 886449-15-6
    • 4-((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)-oxybutan-2-one
    • 2-Butanone, 4-(((1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-
    • 4-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)butan-2-one
    • 886449-15-6

  • Applications

    4-(L-Menthoxy)-2-butanone (CAS 886449-15-6) is primarily used as an intermediate in the synthesis of fragrance and specialty chemicals and can serve as an aroma-chemical precursor for perfumery notes. In cosmetics and personal care, it may be used as a fragrance ingredient or fragrance intermediate. In industrial manufacturing, it is evaluated as a building block for the production of aroma compounds and other specialty chemicals. In pharmaceuticals, it may function as a chiral building block or a synthetic intermediate in the development of pharmaceutical scaffolds, subject to regulatory constraints and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1883.19
    methanol 1738.59
    isopropanol 2080.27
    water 1.28
    ethyl acetate 1569.99
    n-propanol 1707.72
    acetone 1784.01
    n-butanol 1592.01
    acetonitrile 1447.26
    DMF 927.23
    toluene 881.4
    isobutanol 1479.04
    1,4-dioxane 2581.21
    methyl acetate 1092.66
    THF 3223.49
    2-butanone 1355.8
    n-pentanol 931.49
    sec-butanol 1544.29
    n-hexane 458.78
    ethylene glycol 161.63
    NMP 981.7
    cyclohexane 948.91
    DMSO 1039.34
    n-butyl acetate 1256.6
    n-octanol 565.95
    chloroform 5102.69
    n-propyl acetate 869.33
    acetic acid 1319.53
    dichloromethane 3221.76
    cyclohexanone 2390.24
    propylene glycol 425.92
    isopropyl acetate 1126.77
    DMAc 812.74
    2-ethoxyethanol 793.51
    isopentanol 1416.03
    n-heptane 237.61
    ethyl formate 842.79
    1,2-dichloroethane 1742.09
    n-hexanol 1333.1
    2-methoxyethanol 1309.06
    isobutyl acetate 652.47
    tetrachloromethane 952.39
    n-pentyl acetate 814.03
    transcutol 2966.84
    n-heptanol 532.03
    ethylbenzene 464.73
    MIBK 848.69
    2-propoxyethanol 1254.03
    tert-butanol 2321.61
    MTBE 1940.88
    2-butoxyethanol 711.2
    propionic acid 1105.35
    o-xylene 570.5
    formic acid 266.64
    diethyl ether 1730.51
    m-xylene 641.0
    p-xylene 637.96
    chlorobenzene 1259.13
    dimethyl carbonate 245.47
    n-octane 97.71
    formamide 287.82
    cyclopentanone 1820.68
    2-pentanone 1158.09
    anisole 669.63
    cyclopentyl methyl ether 1588.35
    gamma-butyrolactone 1826.64
    1-methoxy-2-propanol 1159.07
    pyridine 1525.83
    3-pentanone 860.33
    furfural 1441.02
    n-dodecane 63.96
    diethylene glycol 671.8
    diisopropyl ether 608.81
    tert-amyl alcohol 1561.72
    acetylacetone 1080.87
    n-hexadecane 75.97
    acetophenone 581.31
    methyl propionate 835.18
    isopentyl acetate 1149.28
    trichloroethylene 3167.73
    n-nonanol 475.0
    cyclohexanol 1979.66
    benzyl alcohol 615.3
    2-ethylhexanol 701.77
    isooctanol 445.89
    dipropyl ether 808.24
    1,2-dichlorobenzene 984.08
    ethyl lactate 336.99
    propylene carbonate 1195.42
    n-methylformamide 550.59
    2-pentanol 1187.54
    n-pentane 391.81
    1-propoxy-2-propanol 1040.58
    1-methoxy-2-propyl acetate 958.6
    2-(2-methoxypropoxy) propanol 582.38
    mesitylene 442.33
    ε-caprolactone 1920.52
    p-cymene 317.9
    epichlorohydrin 2056.07
    1,1,1-trichloroethane 2436.15
    2-aminoethanol 502.57
    morpholine-4-carbaldehyde 1184.48
    sulfolane 1520.74
    2,2,4-trimethylpentane 178.41
    2-methyltetrahydrofuran 2467.61
    n-hexyl acetate 1120.05
    isooctane 149.72
    2-(2-butoxyethoxy)ethanol 920.59
    sec-butyl acetate 687.7
    tert-butyl acetate 1074.64
    decalin 252.49
    glycerin 419.48
    diglyme 1541.54
    acrylic acid 684.02
    isopropyl myristate 376.65
    n-butyric acid 1895.45
    acetyl acetate 903.75
    di(2-ethylhexyl) phthalate 311.24
    ethyl propionate 665.72
    nitromethane 1388.75
    1,2-diethoxyethane 1150.58
    benzonitrile 1015.53
    trioctyl phosphate 243.97
    1-bromopropane 1490.16
    gamma-valerolactone 2121.68
    n-decanol 323.74
    triethyl phosphate 289.83
    4-methyl-2-pentanol 668.2
    propionitrile 1236.54
    vinylene carbonate 992.63
    1,1,2-trichlorotrifluoroethane 1329.2
    DMS 576.79
    cumene 322.49
    2-octanol 417.9
    2-hexanone 894.24
    octyl acetate 461.04
    limonene 547.78
    1,2-dimethoxyethane 1490.9
    ethyl orthosilicate 309.5
    tributyl phosphate 310.71
    diacetone alcohol 908.91
    N,N-dimethylaniline 406.03
    acrylonitrile 992.58
    aniline 1009.09
    1,3-propanediol 887.11
    bromobenzene 1338.73
    dibromomethane 2484.58
    1,1,2,2-tetrachloroethane 2881.85
    2-methyl-cyclohexyl acetate 564.03
    tetrabutyl urea 340.2
    diisobutyl methanol 418.04
    2-phenylethanol 647.46
    styrene 553.44
    dioctyl adipate 463.04
    dimethyl sulfate 337.79
    ethyl butyrate 732.85
    methyl lactate 387.38
    butyl lactate 547.49
    diethyl carbonate 441.74
    propanediol butyl ether 721.94
    triethyl orthoformate 511.03
    p-tert-butyltoluene 310.25
    methyl 4-tert-butylbenzoate 540.99
    morpholine 2727.65
    tert-butylamine 1653.25
    n-dodecanol 239.89
    dimethoxymethane 722.1
    ethylene carbonate 994.95
    cyrene 447.98
    2-ethoxyethyl acetate 840.09
    2-ethylhexyl acetate 860.73
    1,2,4-trichlorobenzene 1133.49
    4-methylpyridine 1647.4
    dibutyl ether 845.22
    2,6-dimethyl-4-heptanol 418.04
    DEF 948.1
    dimethyl isosorbide 894.59
    tetrachloroethylene 1867.78
    eugenol 471.77
    triacetin 776.72
    span 80 607.14
    1,4-butanediol 334.48
    1,1-dichloroethane 2621.05
    2-methyl-1-pentanol 792.12
    methyl formate 442.27
    2-methyl-1-butanol 1263.46
    n-decane 128.93
    butyronitrile 1492.15
    3,7-dimethyl-1-octanol 558.03
    1-chlorooctane 464.88
    1-chlorotetradecane 165.56
    n-nonane 140.1
    undecane 85.31
    tert-butylcyclohexane 228.71
    cyclooctane 264.07
    cyclopentanol 1612.06
    tetrahydropyran 3304.48
    tert-amyl methyl ether 1056.59
    2,5,8-trioxanonane 892.02
    1-hexene 981.63
    2-isopropoxyethanol 635.2
    2,2,2-trifluoroethanol 397.65
    methyl butyrate 905.72

    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