4-Ethyl-2,6-dimethyl-4-heptanol

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  • Identifiers

    CAS number
    54460-99-0

    Molecular formula
    C11H24O

    SMILES
    CCC(CC(C)C)(CC(C)C)O

  • Odor profile

    Fragrance
    Floral 66.48%
    Fruity 51.16%
    Herbal 45.49%
    Rose 44.95%
    Sweet 44.86%
    Woody 44.54%
    Fresh 41.37%
    Mint 40.11%
    Citrus 39.62%
    Green 33.01%

     

    Flavor
    Green 49.91%
    Floral 42.36%
    Mild 35.62%
    Fresh 35.4%
    Lily 33.16%
    Oily 31.88%
    Woody 29.89%
    Citrus 28.52%
    Waxy 27.82%
    Yeasty 24.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    9.85 (weak base)

    Molecular weight
    172.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 81.52 ˚C est.

  • Synonyms

    • 4-Ethyl-2,6-dimethyl-4-heptanol
    • 54460-99-0
    • 4-Heptanol, 4-ethyl-2,6-dimethyl-
    • DTXSID60341724
    • 2,6-dimethyl-4-ethyl-4-heptanol
    • 4-Ethyl-2,6-dimethyl-4-heptanol #
    • DB-316567

  • Applications

    4-Ethyl-2,6-dimethyl-4-heptanol (CAS 54460-99-0) may serve as a fragrance ingredient and a fixative in perfumery to help extend scent under conditions of use. It may also function as a solvent or processing aid in cosmetics and personal care products, as well as in household and cleaning formulations. In industrial manufacturing, it can be used as an intermediate for ester synthesis or as a processing solvent. In polymers and plastics, it may act as a plasticizer or processing additive, and in coatings and inks it can serve as a solvent or additive to improve solvency and control evaporation. Its applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 765.79
    methanol 730.07
    isopropanol 1023.51
    water 0.44
    ethyl acetate 671.12
    n-propanol 967.66
    acetone 801.92
    n-butanol 1082.64
    acetonitrile 493.5
    DMF 680.68
    toluene 732.99
    isobutanol 1005.75
    1,4-dioxane 1511.71
    methyl acetate 576.4
    THF 3090.68
    2-butanone 854.8
    n-pentanol 763.02
    sec-butanol 1130.83
    n-hexane 1789.27
    ethylene glycol 80.8
    NMP 1100.89
    cyclohexane 2031.4
    DMSO 488.48
    n-butyl acetate 1329.59
    n-octanol 1021.99
    chloroform 2142.3
    n-propyl acetate 590.23
    acetic acid 412.86
    dichloromethane 1275.11
    cyclohexanone 1918.07
    propylene glycol 226.48
    isopropyl acetate 592.36
    DMAc 652.09
    2-ethoxyethanol 369.74
    isopentanol 1051.77
    n-heptane 1899.42
    ethyl formate 422.2
    1,2-dichloroethane 769.01
    n-hexanol 2165.8
    2-methoxyethanol 600.37
    isobutyl acetate 588.2
    tetrachloromethane 644.36
    n-pentyl acetate 820.43
    transcutol 1052.01
    n-heptanol 959.49
    ethylbenzene 578.06
    MIBK 646.68
    2-propoxyethanol 1129.96
    tert-butanol 1526.56
    MTBE 1605.76
    2-butoxyethanol 668.2
    propionic acid 477.21
    o-xylene 576.0
    formic acid 74.57
    diethyl ether 1218.18
    m-xylene 624.1
    p-xylene 784.08
    chlorobenzene 724.39
    dimethyl carbonate 172.1
    n-octane 546.93
    formamide 69.35
    cyclopentanone 1658.85
    2-pentanone 857.19
    anisole 533.61
    cyclopentyl methyl ether 1754.42
    gamma-butyrolactone 1393.14
    1-methoxy-2-propanol 651.36
    pyridine 916.2
    3-pentanone 686.83
    furfural 825.99
    n-dodecane 314.55
    diethylene glycol 434.48
    diisopropyl ether 713.82
    tert-amyl alcohol 1376.01
    acetylacetone 604.39
    n-hexadecane 354.49
    acetophenone 467.47
    methyl propionate 501.42
    isopentyl acetate 1338.72
    trichloroethylene 1217.56
    n-nonanol 848.05
    cyclohexanol 1660.71
    benzyl alcohol 384.32
    2-ethylhexanol 1670.36
    isooctanol 842.72
    dipropyl ether 1736.82
    1,2-dichlorobenzene 618.31
    ethyl lactate 271.61
    propylene carbonate 940.48
    n-methylformamide 277.09
    2-pentanol 943.02
    n-pentane 1077.97
    1-propoxy-2-propanol 1253.64
    1-methoxy-2-propyl acetate 779.82
    2-(2-methoxypropoxy) propanol 549.61
    mesitylene 530.08
    ε-caprolactone 1437.3
    p-cymene 682.01
    epichlorohydrin 1178.83
    1,1,1-trichloroethane 1206.92
    2-aminoethanol 227.55
    morpholine-4-carbaldehyde 866.46
    sulfolane 1474.49
    2,2,4-trimethylpentane 496.86
    2-methyltetrahydrofuran 2392.78
    n-hexyl acetate 1269.04
    isooctane 464.17
    2-(2-butoxyethoxy)ethanol 670.22
    sec-butyl acetate 495.92
    tert-butyl acetate 796.85
    decalin 747.74
    glycerin 214.55
    diglyme 1078.97
    acrylic acid 302.86
    isopropyl myristate 628.08
    n-butyric acid 870.91
    acetyl acetate 387.26
    di(2-ethylhexyl) phthalate 439.91
    ethyl propionate 517.56
    nitromethane 437.32
    1,2-diethoxyethane 772.61
    benzonitrile 616.23
    trioctyl phosphate 415.92
    1-bromopropane 1153.6
    gamma-valerolactone 1476.64
    n-decanol 626.56
    triethyl phosphate 406.47
    4-methyl-2-pentanol 656.65
    propionitrile 665.61
    vinylene carbonate 671.81
    1,1,2-trichlorotrifluoroethane 685.07
    DMS 473.08
    cumene 485.34
    2-octanol 831.31
    2-hexanone 850.21
    octyl acetate 704.32
    limonene 1294.65
    1,2-dimethoxyethane 1052.79
    ethyl orthosilicate 439.35
    tributyl phosphate 447.95
    diacetone alcohol 670.54
    N,N-dimethylaniline 482.75
    acrylonitrile 454.08
    aniline 512.28
    1,3-propanediol 381.22
    bromobenzene 808.7
    dibromomethane 1271.64
    1,1,2,2-tetrachloroethane 1360.68
    2-methyl-cyclohexyl acetate 964.75
    tetrabutyl urea 551.0
    diisobutyl methanol 975.44
    2-phenylethanol 675.14
    styrene 551.62
    dioctyl adipate 643.31
    dimethyl sulfate 245.29
    ethyl butyrate 823.51
    methyl lactate 237.46
    butyl lactate 581.97
    diethyl carbonate 492.26
    propanediol butyl ether 628.83
    triethyl orthoformate 690.5
    p-tert-butyltoluene 715.93
    methyl 4-tert-butylbenzoate 681.49
    morpholine 1578.56
    tert-butylamine 1456.32
    n-dodecanol 517.04
    dimethoxymethane 552.66
    ethylene carbonate 658.88
    cyrene 480.69
    2-ethoxyethyl acetate 572.9
    2-ethylhexyl acetate 1188.16
    1,2,4-trichlorobenzene 696.84
    4-methylpyridine 1077.47
    dibutyl ether 1284.63
    2,6-dimethyl-4-heptanol 975.44
    DEF 728.32
    dimethyl isosorbide 1022.96
    tetrachloroethylene 892.4
    eugenol 476.24
    triacetin 622.68
    span 80 771.36
    1,4-butanediol 177.5
    1,1-dichloroethane 1091.22
    2-methyl-1-pentanol 791.6
    methyl formate 244.13
    2-methyl-1-butanol 1024.32
    n-decane 561.91
    butyronitrile 1015.22
    3,7-dimethyl-1-octanol 992.18
    1-chlorooctane 945.54
    1-chlorotetradecane 434.9
    n-nonane 666.12
    undecane 392.35
    tert-butylcyclohexane 786.61
    cyclooctane 845.17
    cyclopentanol 1467.25
    tetrahydropyran 2572.56
    tert-amyl methyl ether 1191.38
    2,5,8-trioxanonane 705.9
    1-hexene 1876.55
    2-isopropoxyethanol 383.02
    2,2,2-trifluoroethanol 128.41
    methyl butyrate 715.71

    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