5-Methyl-1-hepten-4-ol

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  • Identifiers

    CAS number
    99328-46-8

    Molecular formula
    C8H16O

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

    Safety labels

  • Odor profile

    Fragrance
    Green 63.66%
    Fruity 53.94%
    Earthy 45.87%
    Mushroom 37.35%
    Herbal 37.11%
    Metallic 31.08%
    Oily 30.45%
    Cheesy 25.71%
    Fresh 24.5%
    Tropical 22.75%

     

    Flavor
    Green 41.56%
    Tropical 29.74%
    Oily 29.54%
    Herbal 28.98%
    Fruity 26.41%
    Fresh 25.92%
    Spicy 25.18%
    Herb 24.86%
    Onion 24.14%
    Fishy 23.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.74 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    164°C

    Flash point

    • 58.16 ˚C est.

  • Synonyms

    • 5-Methyl-1-hepten-4-ol
    • RefChem:1073077
    • 99328-46-8
    • 5-methylhept-1-en-4-ol
    • SCHEMBL621318
    • DTXSID50912745
    • MQPXBYVFQKTJJZ-UHFFFAOYSA-N
    • AKOS013028930
    • 1-Hepten-4-ol,5-methyl-,(4R,5S)-
    • 99328-46-8

  • Applications

    5-Methyl-1-hepten-4-ol (CAS 99328-46-8) is a fragrance-related chemical and industrial intermediate that is commonly used as an odorant in perfumery and scented formulations; it also serves as a fragrance ingredient in cosmetics/personal care and is incorporated into household and cleaning product formulations to impart a distinct aroma. In industrial manufacturing, it acts as a chemical building block for more complex fragrance compounds, and may be used as a solvent or processing aid in certain synthesis steps. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 714.03
    methanol 461.97
    isopropanol 730.64
    water 0.74
    ethyl acetate 246.75
    n-propanol 638.35
    acetone 290.44
    n-butanol 621.08
    acetonitrile 292.59
    DMF 215.54
    toluene 106.26
    isobutanol 524.29
    1,4-dioxane 683.08
    methyl acetate 235.11
    THF 1007.5
    2-butanone 328.09
    n-pentanol 449.58
    sec-butanol 628.19
    n-hexane 202.63
    ethylene glycol 68.68
    NMP 252.26
    cyclohexane 211.0
    DMSO 376.12
    n-butyl acetate 552.27
    n-octanol 319.15
    chloroform 714.53
    n-propyl acetate 252.0
    acetic acid 257.45
    dichloromethane 527.6
    cyclohexanone 476.21
    propylene glycol 143.48
    isopropyl acetate 159.03
    DMAc 171.58
    2-ethoxyethanol 306.4
    isopentanol 516.56
    n-heptane 229.67
    ethyl formate 195.27
    1,2-dichloroethane 284.31
    n-hexanol 847.45
    2-methoxyethanol 412.28
    isobutyl acetate 171.37
    tetrachloromethane 179.99
    n-pentyl acetate 227.87
    transcutol 835.52
    n-heptanol 346.33
    ethylbenzene 92.38
    MIBK 188.89
    2-propoxyethanol 572.51
    tert-butanol 815.82
    MTBE 506.59
    2-butoxyethanol 340.52
    propionic acid 268.66
    o-xylene 91.96
    formic acid 55.47
    diethyl ether 429.64
    m-xylene 94.01
    p-xylene 126.36
    chlorobenzene 167.75
    dimethyl carbonate 34.99
    n-octane 71.3
    formamide 61.77
    cyclopentanone 433.97
    2-pentanone 264.28
    anisole 155.26
    cyclopentyl methyl ether 367.26
    gamma-butyrolactone 401.42
    1-methoxy-2-propanol 353.07
    pyridine 331.74
    3-pentanone 159.87
    furfural 297.55
    n-dodecane 45.21
    diethylene glycol 280.8
    diisopropyl ether 151.33
    tert-amyl alcohol 588.12
    acetylacetone 163.49
    n-hexadecane 49.17
    acetophenone 129.43
    methyl propionate 144.7
    isopentyl acetate 460.49
    trichloroethylene 439.77
    n-nonanol 260.14
    cyclohexanol 477.99
    benzyl alcohol 151.89
    2-ethylhexanol 543.85
    isooctanol 277.76
    dipropyl ether 473.15
    1,2-dichlorobenzene 151.49
    ethyl lactate 97.53
    propylene carbonate 261.02
    n-methylformamide 141.35
    2-pentanol 441.35
    n-pentane 168.89
    1-propoxy-2-propanol 529.95
    1-methoxy-2-propyl acetate 253.29
    2-(2-methoxypropoxy) propanol 249.69
    mesitylene 77.06
    ε-caprolactone 399.74
    p-cymene 122.58
    epichlorohydrin 447.57
    1,1,1-trichloroethane 334.98
    2-aminoethanol 177.91
    morpholine-4-carbaldehyde 302.06
    sulfolane 394.45
    2,2,4-trimethylpentane 83.4
    2-methyltetrahydrofuran 798.57
    n-hexyl acetate 323.93
    isooctane 79.96
    2-(2-butoxyethoxy)ethanol 359.82
    sec-butyl acetate 162.12
    tert-butyl acetate 192.03
    decalin 84.3
    glycerin 151.11
    diglyme 506.25
    acrylic acid 154.25
    isopropyl myristate 141.76
    n-butyric acid 499.84
    acetyl acetate 103.7
    di(2-ethylhexyl) phthalate 119.62
    ethyl propionate 151.43
    nitromethane 248.1
    1,2-diethoxyethane 390.85
    benzonitrile 221.16
    trioctyl phosphate 111.73
    1-bromopropane 372.81
    gamma-valerolactone 462.37
    n-decanol 192.7
    triethyl phosphate 106.45
    4-methyl-2-pentanol 248.68
    propionitrile 321.0
    vinylene carbonate 197.47
    1,1,2-trichlorotrifluoroethane 245.83
    DMS 115.19
    cumene 90.69
    2-octanol 242.95
    2-hexanone 295.46
    octyl acetate 169.4
    limonene 231.2
    1,2-dimethoxyethane 529.59
    ethyl orthosilicate 116.81
    tributyl phosphate 120.31
    diacetone alcohol 237.53
    N,N-dimethylaniline 113.91
    acrylonitrile 238.49
    aniline 154.95
    1,3-propanediol 305.26
    bromobenzene 164.82
    dibromomethane 471.0
    1,1,2,2-tetrachloroethane 398.17
    2-methyl-cyclohexyl acetate 242.3
    tetrabutyl urea 140.97
    diisobutyl methanol 253.06
    2-phenylethanol 234.96
    styrene 102.55
    dioctyl adipate 163.29
    dimethyl sulfate 54.78
    ethyl butyrate 310.8
    methyl lactate 81.13
    butyl lactate 182.46
    diethyl carbonate 162.39
    propanediol butyl ether 285.27
    triethyl orthoformate 214.36
    p-tert-butyltoluene 122.26
    methyl 4-tert-butylbenzoate 166.45
    morpholine 732.18
    tert-butylamine 644.18
    n-dodecanol 151.79
    dimethoxymethane 175.47
    ethylene carbonate 189.78
    cyrene 174.74
    2-ethoxyethyl acetate 202.66
    2-ethylhexyl acetate 364.82
    1,2,4-trichlorobenzene 173.39
    4-methylpyridine 301.03
    dibutyl ether 347.9
    2,6-dimethyl-4-heptanol 253.06
    DEF 206.81
    dimethyl isosorbide 348.24
    tetrachloroethylene 280.97
    eugenol 166.32
    triacetin 179.27
    span 80 302.19
    1,4-butanediol 135.95
    1,1-dichloroethane 393.26
    2-methyl-1-pentanol 375.7
    methyl formate 93.06
    2-methyl-1-butanol 485.65
    n-decane 80.09
    butyronitrile 475.78
    3,7-dimethyl-1-octanol 301.12
    1-chlorooctane 188.62
    1-chlorotetradecane 79.96
    n-nonane 87.47
    undecane 57.48
    tert-butylcyclohexane 99.65
    cyclooctane 74.45
    cyclopentanol 485.23
    tetrahydropyran 865.01
    tert-amyl methyl ether 307.42
    2,5,8-trioxanonane 360.59
    1-hexene 403.39
    2-isopropoxyethanol 254.38
    2,2,2-trifluoroethanol 58.27
    methyl butyrate 242.75

    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