5-Methyl-5-hexen-3-ol

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  • Identifiers

    CAS number
    67760-89-8

    Molecular formula
    C7H14O

    SMILES
    CCC(CC(=C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Green 64.0%
    Fruity 59.01%
    Floral 57.47%
    Herbal 51.08%
    Sweet 46.01%
    Earthy 44.08%
    Fresh 39.82%
    Rose 34.43%
    Oily 33.03%
    Mushroom 31.61%

     

    Flavor
    Herbal 33.51%
    Green 32.89%
    Tropical 29.82%
    Oily 29.49%
    Spicy 27.63%
    Herb 27.21%
    Sweet 26.72%
    Earthy 24.42%
    Sulfurous 24.27%
    Fishy 23.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.59 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    145°C

    Flash point

    • 45.12 ˚C est.

  • Synonyms

    • 5-Methyl-5-hexen-3-ol
    • RefChem:1073127
    • 67760-89-8
    • 5-methylhex-5-en-3-ol
    • 89794-39-8
    • SCHEMBL618507
    • SCHEMBL854809
    • SCHEMBL7757938
    • DTXSID00987089
    • AKOS006273784
    • DB-055062
    • 67760-89-8

  • Applications

    5-Methyl-5-hexen-3-ol (CAS 67760-89-8) is primarily used as an intermediate and fragrance-building block in chemical manufacturing. In perfumery and cosmetics, it serves as a raw material or precursor to synthesize odorants and aroma compounds for perfumes and personal care formulations. For household products, it may be used as a fragrance ingredient in cleaners and detergents. In polymer and plastics chemistry, the molecule can function as a functional monomer precursor or a reactive intermediate, leveraging its alkenyl and hydroxyl functionality to introduce functional groups into polymer chains. In coatings and inks and other industrial applications, it can act as a reactive intermediate or additive for functionalization or crosslinking of coatings. Actual use varies with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 518.18
    methanol 676.36
    isopropanol 549.39
    water 4.7
    ethyl acetate 172.66
    n-propanol 494.82
    acetone 306.44
    n-butanol 507.05
    acetonitrile 188.36
    DMF 249.53
    toluene 69.26
    isobutanol 431.24
    1,4-dioxane 403.76
    methyl acetate 187.68
    THF 692.5
    2-butanone 270.31
    n-pentanol 374.19
    sec-butanol 532.45
    n-hexane 160.87
    ethylene glycol 161.22
    NMP 354.05
    cyclohexane 91.72
    DMSO 300.11
    n-butyl acetate 302.04
    n-octanol 315.37
    chloroform 419.04
    n-propyl acetate 148.74
    acetic acid 348.78
    dichloromethane 225.81
    cyclohexanone 394.55
    propylene glycol 290.06
    isopropyl acetate 139.75
    DMAc 244.21
    2-ethoxyethanol 304.75
    isopentanol 449.19
    n-heptane 139.6
    ethyl formate 123.26
    1,2-dichloroethane 143.4
    n-hexanol 783.33
    2-methoxyethanol 433.74
    isobutyl acetate 136.44
    tetrachloromethane 107.92
    n-pentyl acetate 165.96
    transcutol 753.84
    n-heptanol 311.34
    ethylbenzene 61.8
    MIBK 190.83
    2-propoxyethanol 636.69
    tert-butanol 787.68
    MTBE 460.62
    2-butoxyethanol 331.77
    propionic acid 301.49
    o-xylene 72.65
    formic acid 115.36
    diethyl ether 268.25
    m-xylene 79.6
    p-xylene 91.0
    chlorobenzene 106.29
    dimethyl carbonate 48.03
    n-octane 43.22
    formamide 65.72
    cyclopentanone 394.43
    2-pentanone 222.86
    anisole 134.77
    cyclopentyl methyl ether 330.67
    gamma-butyrolactone 351.46
    1-methoxy-2-propanol 402.71
    pyridine 169.75
    3-pentanone 153.87
    furfural 268.78
    n-dodecane 32.19
    diethylene glycol 377.19
    diisopropyl ether 133.54
    tert-amyl alcohol 601.95
    acetylacetone 179.81
    n-hexadecane 34.27
    acetophenone 118.33
    methyl propionate 135.96
    isopentyl acetate 302.35
    trichloroethylene 269.58
    n-nonanol 252.85
    cyclohexanol 403.15
    benzyl alcohol 138.09
    2-ethylhexanol 411.42
    isooctanol 244.6
    dipropyl ether 303.73
    1,2-dichlorobenzene 108.98
    ethyl lactate 110.06
    propylene carbonate 220.79
    n-methylformamide 133.25
    2-pentanol 406.9
    n-pentane 116.82
    1-propoxy-2-propanol 516.25
    1-methoxy-2-propyl acetate 229.9
    2-(2-methoxypropoxy) propanol 287.78
    mesitylene 65.76
    ε-caprolactone 310.87
    p-cymene 88.18
    epichlorohydrin 293.47
    1,1,1-trichloroethane 220.14
    2-aminoethanol 294.82
    morpholine-4-carbaldehyde 319.51
    sulfolane 410.36
    2,2,4-trimethylpentane 74.46
    2-methyltetrahydrofuran 547.03
    n-hexyl acetate 298.91
    isooctane 66.78
    2-(2-butoxyethoxy)ethanol 387.54
    sec-butyl acetate 121.34
    tert-butyl acetate 205.84
    decalin 56.22
    glycerin 311.12
    diglyme 485.32
    acrylic acid 214.54
    isopropyl myristate 128.23
    n-butyric acid 386.91
    acetyl acetate 105.75
    di(2-ethylhexyl) phthalate 121.13
    ethyl propionate 113.61
    nitromethane 244.0
    1,2-diethoxyethane 233.69
    benzonitrile 148.38
    trioctyl phosphate 108.16
    1-bromopropane 169.55
    gamma-valerolactone 403.1
    n-decanol 188.63
    triethyl phosphate 88.15
    4-methyl-2-pentanol 260.65
    propionitrile 201.76
    vinylene carbonate 158.87
    1,1,2-trichlorotrifluoroethane 277.5
    DMS 123.5
    cumene 66.65
    2-octanol 214.82
    2-hexanone 230.61
    octyl acetate 159.73
    limonene 171.99
    1,2-dimethoxyethane 402.28
    ethyl orthosilicate 99.3
    tributyl phosphate 121.76
    diacetone alcohol 292.69
    N,N-dimethylaniline 108.68
    acrylonitrile 169.14
    aniline 123.71
    1,3-propanediol 358.22
    bromobenzene 91.05
    dibromomethane 199.06
    1,1,2,2-tetrachloroethane 286.96
    2-methyl-cyclohexyl acetate 198.25
    tetrabutyl urea 145.69
    diisobutyl methanol 211.57
    2-phenylethanol 216.85
    styrene 64.46
    dioctyl adipate 151.33
    dimethyl sulfate 82.81
    ethyl butyrate 170.02
    methyl lactate 122.31
    butyl lactate 171.54
    diethyl carbonate 103.01
    propanediol butyl ether 362.09
    triethyl orthoformate 147.34
    p-tert-butyltoluene 94.21
    methyl 4-tert-butylbenzoate 182.5
    morpholine 436.24
    tert-butylamine 548.29
    n-dodecanol 144.47
    dimethoxymethane 161.0
    ethylene carbonate 140.52
    cyrene 198.86
    2-ethoxyethyl acetate 162.43
    2-ethylhexyl acetate 228.19
    1,2,4-trichlorobenzene 137.52
    4-methylpyridine 184.11
    dibutyl ether 230.19
    2,6-dimethyl-4-heptanol 211.57
    DEF 200.5
    dimethyl isosorbide 349.03
    tetrachloroethylene 193.08
    eugenol 184.89
    triacetin 200.59
    span 80 323.38
    1,4-butanediol 189.37
    1,1-dichloroethane 225.2
    2-methyl-1-pentanol 337.84
    methyl formate 94.2
    2-methyl-1-butanol 437.24
    n-decane 55.97
    butyronitrile 264.61
    3,7-dimethyl-1-octanol 299.1
    1-chlorooctane 156.99
    1-chlorotetradecane 64.55
    n-nonane 60.61
    undecane 40.52
    tert-butylcyclohexane 81.15
    cyclooctane 42.73
    cyclopentanol 414.91
    tetrahydropyran 444.12
    tert-amyl methyl ether 321.74
    2,5,8-trioxanonane 363.45
    1-hexene 288.65
    2-isopropoxyethanol 259.18
    2,2,2-trifluoroethanol 94.7
    methyl butyrate 159.1

    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