2-Methylhexa-1,5-dien-3-ol

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  • Identifiers

    CAS number
    17123-60-3

    Molecular formula
    C7H12O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 50.47%
    Earthy 42.22%
    Pungent 36.67%
    Metallic 32.27%
    Herbal 30.68%
    Fruity 28.65%
    Mushroom 26.82%
    Ethereal 26.27%
    Vegetable 23.02%
    Spicy 22.44%

     

    Flavor
    Green 23.99%
    Pungent 23.87%
    Onion 23.56%
    Tropical 23.19%
    Spicy 23.11%
    Ocimene 21.73%
    Sulfurous 21.69%
    Herbal 21.19%
    Mouldy 21.06%
    Matches 20.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.83 (weak base)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    148°C

    Flash point

    • 44.39 ˚C est.

  • Synonyms

    • 2-methylhexa-1,5-dien-3-ol
    • 17123-60-3
    • DTXSID10937934
    • RefChem:1063829
    • DTXCID501366484
    • 2-Methyl-1,5-hexadien-3-ol
    • 2-Methyl-1,5-hexadiene-3-ol
    • SCHEMBL11649288
    • RXPIKCXXXVLDLD-UHFFFAOYSA-N
    • 2-Methyl-1,5-hexadien-3-ol #
    • AKOS006273794
    • 17123-60-3

  • Applications

    2-Methylhexa-1,5-dien-3-ol (CAS 17123-60-3) is commonly used as an intermediate in the synthesis of fragrance compounds and aroma ingredients. It can serve as a fragrance component or precursor in perfumery and in cosmetic/personal-care formulations; it may be evaluated for use in household and cleaning products as an aroma additive; it functions as a building block or reactive intermediate in the manufacture of specialty chemicals for industrial applications; in coatings and inks it may be employed as a fragrance additive or reactive ingredient; in polymer chemistry it can act as a building block or functional handle for certain resin systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 239.22
    methanol 207.71
    isopropanol 246.82
    water 2.76
    ethyl acetate 119.54
    n-propanol 229.44
    acetone 135.99
    n-butanol 250.47
    acetonitrile 110.32
    DMF 135.16
    toluene 43.34
    isobutanol 206.06
    1,4-dioxane 226.5
    methyl acetate 133.01
    THF 337.19
    2-butanone 170.46
    n-pentanol 187.79
    sec-butanol 277.79
    n-hexane 58.13
    ethylene glycol 58.67
    NMP 168.55
    cyclohexane 34.7
    DMSO 155.61
    n-butyl acetate 176.12
    n-octanol 153.63
    chloroform 251.18
    n-propyl acetate 106.59
    acetic acid 148.37
    dichloromethane 151.9
    cyclohexanone 192.85
    propylene glycol 112.48
    isopropyl acetate 89.11
    DMAc 164.73
    2-ethoxyethanol 188.5
    isopentanol 231.2
    n-heptane 52.4
    ethyl formate 74.97
    1,2-dichloroethane 94.11
    n-hexanol 297.77
    2-methoxyethanol 216.91
    isobutyl acetate 91.79
    tetrachloromethane 70.76
    n-pentyl acetate 108.18
    transcutol 501.99
    n-heptanol 158.44
    ethylbenzene 47.7
    MIBK 114.41
    2-propoxyethanol 277.67
    tert-butanol 349.64
    MTBE 234.0
    2-butoxyethanol 193.77
    propionic acid 160.99
    o-xylene 52.99
    formic acid 46.82
    diethyl ether 147.35
    m-xylene 51.95
    p-xylene 64.39
    chlorobenzene 64.89
    dimethyl carbonate 30.78
    n-octane 22.12
    formamide 42.31
    cyclopentanone 206.07
    2-pentanone 129.79
    anisole 97.63
    cyclopentyl methyl ether 163.74
    gamma-butyrolactone 179.55
    1-methoxy-2-propanol 212.17
    pyridine 108.64
    3-pentanone 93.85
    furfural 161.23
    n-dodecane 18.05
    diethylene glycol 176.21
    diisopropyl ether 70.35
    tert-amyl alcohol 329.93
    acetylacetone 108.04
    n-hexadecane 18.92
    acetophenone 91.72
    methyl propionate 86.51
    isopentyl acetate 170.43
    trichloroethylene 188.06
    n-nonanol 129.07
    cyclohexanol 174.41
    benzyl alcohol 86.57
    2-ethylhexanol 189.72
    isooctanol 137.67
    dipropyl ether 148.2
    1,2-dichlorobenzene 69.59
    ethyl lactate 72.19
    propylene carbonate 124.44
    n-methylformamide 69.84
    2-pentanol 208.78
    n-pentane 45.71
    1-propoxy-2-propanol 238.52
    1-methoxy-2-propyl acetate 129.89
    2-(2-methoxypropoxy) propanol 176.5
    mesitylene 43.38
    ε-caprolactone 164.09
    p-cymene 57.72
    epichlorohydrin 176.99
    1,1,1-trichloroethane 137.95
    2-aminoethanol 125.18
    morpholine-4-carbaldehyde 177.03
    sulfolane 208.34
    2,2,4-trimethylpentane 39.9
    2-methyltetrahydrofuran 284.93
    n-hexyl acetate 159.86
    isooctane 34.48
    2-(2-butoxyethoxy)ethanol 233.05
    sec-butyl acetate 89.93
    tert-butyl acetate 127.04
    decalin 31.7
    glycerin 124.68
    diglyme 303.75
    acrylic acid 113.27
    isopropyl myristate 76.35
    n-butyric acid 200.9
    acetyl acetate 66.11
    di(2-ethylhexyl) phthalate 70.55
    ethyl propionate 80.48
    nitromethane 136.53
    1,2-diethoxyethane 165.77
    benzonitrile 90.64
    trioctyl phosphate 62.12
    1-bromopropane 104.67
    gamma-valerolactone 204.66
    n-decanol 98.83
    triethyl phosphate 59.67
    4-methyl-2-pentanol 144.68
    propionitrile 121.98
    vinylene carbonate 92.26
    1,1,2-trichlorotrifluoroethane 153.8
    DMS 72.18
    cumene 53.31
    2-octanol 115.63
    2-hexanone 144.5
    octyl acetate 93.62
    limonene 90.86
    1,2-dimethoxyethane 241.57
    ethyl orthosilicate 65.96
    tributyl phosphate 66.85
    diacetone alcohol 176.53
    N,N-dimethylaniline 83.73
    acrylonitrile 108.62
    aniline 72.37
    1,3-propanediol 164.28
    bromobenzene 57.33
    dibromomethane 124.58
    1,1,2,2-tetrachloroethane 178.13
    2-methyl-cyclohexyl acetate 119.57
    tetrabutyl urea 77.53
    diisobutyl methanol 113.79
    2-phenylethanol 120.37
    styrene 47.93
    dioctyl adipate 91.05
    dimethyl sulfate 53.68
    ethyl butyrate 123.43
    methyl lactate 69.33
    butyl lactate 98.08
    diethyl carbonate 72.72
    propanediol butyl ether 187.5
    triethyl orthoformate 92.04
    p-tert-butyltoluene 58.57
    methyl 4-tert-butylbenzoate 122.95
    morpholine 219.57
    tert-butylamine 251.12
    n-dodecanol 77.85
    dimethoxymethane 91.82
    ethylene carbonate 79.75
    cyrene 131.64
    2-ethoxyethyl acetate 113.28
    2-ethylhexyl acetate 133.85
    1,2,4-trichlorobenzene 85.48
    4-methylpyridine 111.7
    dibutyl ether 123.23
    2,6-dimethyl-4-heptanol 113.79
    DEF 120.86
    dimethyl isosorbide 209.35
    tetrachloroethylene 127.16
    eugenol 123.96
    triacetin 124.75
    span 80 174.99
    1,4-butanediol 92.0
    1,1-dichloroethane 138.32
    2-methyl-1-pentanol 203.84
    methyl formate 51.1
    2-methyl-1-butanol 236.82
    n-decane 28.69
    butyronitrile 144.32
    3,7-dimethyl-1-octanol 154.07
    1-chlorooctane 81.23
    1-chlorotetradecane 36.48
    n-nonane 29.24
    undecane 21.97
    tert-butylcyclohexane 43.09
    cyclooctane 17.39
    cyclopentanol 189.14
    tetrahydropyran 226.2
    tert-amyl methyl ether 183.95
    2,5,8-trioxanonane 228.3
    1-hexene 132.25
    2-isopropoxyethanol 169.62
    2,2,2-trifluoroethanol 53.57
    methyl butyrate 117.24

    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