2-Methyl-6-hepten-3-ol

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  • Identifiers

    CAS number
    78631-45-5

    Molecular formula
    C8H16O

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 70.83%
    Green 62.49%
    Herbal 55.86%
    Earthy 50.57%
    Mushroom 42.85%
    Oily 38.96%
    Cheesy 38.83%
    Fresh 36.67%
    Sweet 36.54%
    Spicy 33.85%

     

    Flavor
    Green 31.58%
    Tropical 29.01%
    Oily 26.68%
    Onion 26.16%
    Sulfurous 25.97%
    Fresh 25.55%
    Fishy 24.66%
    Herbal 24.44%
    Fruity 22.61%
    Herb 21.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.72 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    165°C

    Flash point

    • 60.07 ˚C est.

  • Synonyms

    • 2-Methyl-6-hepten-3-ol
    • 78631-45-5
    • RefChem:1063772
    • 2-methylhept-6-en-3-ol
    • DTXSID10999931
    • HZXRKEFLPMNBGL-UHFFFAOYSA-N
    • AKOS011020281
    • 78631-45-5

  • Applications

    2-Methyl-6-hepten-3-ol (CAS 78631-45-5) is mainly employed as a fragrance ingredient in perfumery and cosmetics, contributing a specific aroma profile that can be tuned in formulations. It is commonly evaluated for use in household products and cleaners as an odorant component. Additionally, 2-Methyl-6-hepten-3-ol can function as an intermediate in the synthesis of other aroma compounds and fragrance ingredients used in coatings, inks, and plastics, and may serve as a co-solvent in certain formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 382.06
    methanol 269.64
    isopropanol 377.73
    water 0.71
    ethyl acetate 115.7
    n-propanol 340.24
    acetone 112.81
    n-butanol 389.08
    acetonitrile 119.0
    DMF 96.08
    toluene 69.66
    isobutanol 275.69
    1,4-dioxane 323.28
    methyl acetate 109.11
    THF 504.1
    2-butanone 159.1
    n-pentanol 276.22
    sec-butanol 364.3
    n-hexane 123.34
    ethylene glycol 43.66
    NMP 112.19
    cyclohexane 107.64
    DMSO 149.29
    n-butyl acetate 301.62
    n-octanol 190.71
    chloroform 391.57
    n-propyl acetate 118.72
    acetic acid 135.35
    dichloromethane 257.45
    cyclohexanone 224.49
    propylene glycol 93.46
    isopropyl acetate 81.67
    DMAc 101.58
    2-ethoxyethanol 193.98
    isopentanol 330.28
    n-heptane 147.69
    ethyl formate 92.35
    1,2-dichloroethane 131.52
    n-hexanol 512.35
    2-methoxyethanol 259.97
    isobutyl acetate 92.56
    tetrachloromethane 100.05
    n-pentyl acetate 134.32
    transcutol 536.28
    n-heptanol 233.58
    ethylbenzene 63.18
    MIBK 97.76
    2-propoxyethanol 367.46
    tert-butanol 428.64
    MTBE 251.5
    2-butoxyethanol 234.31
    propionic acid 138.26
    o-xylene 58.98
    formic acid 35.1
    diethyl ether 208.84
    m-xylene 58.05
    p-xylene 83.25
    chlorobenzene 86.55
    dimethyl carbonate 17.09
    n-octane 44.47
    formamide 36.33
    cyclopentanone 200.97
    2-pentanone 128.46
    anisole 95.06
    cyclopentyl methyl ether 191.67
    gamma-butyrolactone 169.8
    1-methoxy-2-propanol 215.59
    pyridine 175.26
    3-pentanone 80.04
    furfural 161.79
    n-dodecane 28.59
    diethylene glycol 181.37
    diisopropyl ether 77.35
    tert-amyl alcohol 350.94
    acetylacetone 77.18
    n-hexadecane 30.58
    acetophenone 80.05
    methyl propionate 69.1
    isopentyl acetate 262.57
    trichloroethylene 220.19
    n-nonanol 163.11
    cyclohexanol 251.01
    benzyl alcohol 95.83
    2-ethylhexanol 352.05
    isooctanol 179.86
    dipropyl ether 274.27
    1,2-dichlorobenzene 83.04
    ethyl lactate 59.89
    propylene carbonate 125.08
    n-methylformamide 65.97
    2-pentanol 268.82
    n-pentane 101.56
    1-propoxy-2-propanol 335.8
    1-methoxy-2-propyl acetate 146.53
    2-(2-methoxypropoxy) propanol 170.49
    mesitylene 47.01
    ε-caprolactone 202.53
    p-cymene 83.42
    epichlorohydrin 218.21
    1,1,1-trichloroethane 164.65
    2-aminoethanol 121.19
    morpholine-4-carbaldehyde 163.28
    sulfolane 166.92
    2,2,4-trimethylpentane 52.52
    2-methyltetrahydrofuran 400.55
    n-hexyl acetate 180.79
    isooctane 45.8
    2-(2-butoxyethoxy)ethanol 237.41
    sec-butyl acetate 91.1
    tert-butyl acetate 103.06
    decalin 52.36
    glycerin 99.63
    diglyme 327.3
    acrylic acid 82.89
    isopropyl myristate 83.17
    n-butyric acid 255.85
    acetyl acetate 52.66
    di(2-ethylhexyl) phthalate 79.24
    ethyl propionate 79.03
    nitromethane 103.91
    1,2-diethoxyethane 235.12
    benzonitrile 125.63
    trioctyl phosphate 69.2
    1-bromopropane 193.82
    gamma-valerolactone 218.52
    n-decanol 122.2
    triethyl phosphate 71.99
    4-methyl-2-pentanol 159.0
    propionitrile 159.45
    vinylene carbonate 95.86
    1,1,2-trichlorotrifluoroethane 145.08
    DMS 60.24
    cumene 59.47
    2-octanol 153.57
    2-hexanone 151.85
    octyl acetate 100.77
    limonene 141.72
    1,2-dimethoxyethane 298.4
    ethyl orthosilicate 82.31
    tributyl phosphate 75.92
    diacetone alcohol 135.97
    N,N-dimethylaniline 75.56
    acrylonitrile 116.88
    aniline 97.86
    1,3-propanediol 198.61
    bromobenzene 83.84
    dibromomethane 235.67
    1,1,2,2-tetrachloroethane 206.49
    2-methyl-cyclohexyl acetate 151.36
    tetrabutyl urea 88.24
    diisobutyl methanol 160.48
    2-phenylethanol 145.68
    styrene 64.81
    dioctyl adipate 103.07
    dimethyl sulfate 25.93
    ethyl butyrate 179.26
    methyl lactate 46.14
    butyl lactate 115.02
    diethyl carbonate 99.78
    propanediol butyl ether 185.73
    triethyl orthoformate 139.26
    p-tert-butyltoluene 80.37
    methyl 4-tert-butylbenzoate 106.08
    morpholine 370.96
    tert-butylamine 340.65
    n-dodecanol 95.82
    dimethoxymethane 82.35
    ethylene carbonate 92.06
    cyrene 111.7
    2-ethoxyethyl acetate 122.71
    2-ethylhexyl acetate 214.32
    1,2,4-trichlorobenzene 95.46
    4-methylpyridine 164.73
    dibutyl ether 192.49
    2,6-dimethyl-4-heptanol 160.48
    DEF 103.94
    dimethyl isosorbide 216.06
    tetrachloroethylene 149.14
    eugenol 110.05
    triacetin 110.63
    span 80 197.66
    1,4-butanediol 86.21
    1,1-dichloroethane 183.99
    2-methyl-1-pentanol 241.35
    methyl formate 39.94
    2-methyl-1-butanol 292.05
    n-decane 49.55
    butyronitrile 257.07
    3,7-dimethyl-1-octanol 188.77
    1-chlorooctane 107.83
    1-chlorotetradecane 47.53
    n-nonane 50.73
    undecane 35.77
    tert-butylcyclohexane 60.34
    cyclooctane 45.61
    cyclopentanol 231.58
    tetrahydropyran 415.44
    tert-amyl methyl ether 176.45
    2,5,8-trioxanonane 231.49
    1-hexene 245.58
    2-isopropoxyethanol 162.56
    2,2,2-trifluoroethanol 31.86
    methyl butyrate 125.14

    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