5-Methyl-5-hexen-2-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    50551-88-7

    Molecular formula
    C7H14O

    SMILES
    CC(CCC(=C)C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 72.0%
    Fruity 56.27%
    Floral 56.01%
    Earthy 49.04%
    Herbal 48.39%
    Fresh 46.54%
    Oily 43.52%
    Citrus 43.12%
    Fatty 43.12%
    Sweet 42.57%

     

    Flavor
    Green 53.25%
    Herbal 41.85%
    Oily 36.17%
    Earthy 33.33%
    Spicy 33.12%
    Sweet 32.49%
    Floral 31.81%
    Tropical 29.76%
    Herb 28.95%
    Mushroom 28.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    10.05 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    157°C

    Flash point

    • 49.72 ˚C est.

  • Synonyms

    • 5-Methyl-5-hexen-2-ol
    • 50551-88-7
    • 5-Hexen-2-ol, 5-methyl-
    • RefChem:103157
    • RIEDLCPIEKXTTL-UHFFFAOYSA-N
    • 5-methylhex-5-en-2-ol
    • SCHEMBL481169
    • SCHEMBL10400773
    • DTXSID00964774
    • AKOS011021801
    • EN300-266315
    • 50551-88-7

  • Applications

    5-Methyl-5-hexen-2-ol (CAS 50551-88-7) is primarily used as a fragrance ingredient and a synthesis intermediate for aroma compounds. In cosmetics and personal care, it is employed as an odorant component in formulations. It is also evaluated as an aroma ingredient for flavor and fragrance applications and can serve as a reactive intermediate to produce esters and other specialty fragrance chemicals. In industrial manufacturing, it acts as a building block for polymers/plastics, coatings and inks, and related materials. It may also be used in cleaning products as part of fragrance profiles. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.16
    methanol 330.85
    isopropanol 352.37
    water 8.32
    ethyl acetate 92.94
    n-propanol 303.72
    acetone 158.72
    n-butanol 284.47
    acetonitrile 86.15
    DMF 220.85
    toluene 32.77
    isobutanol 228.2
    1,4-dioxane 163.65
    methyl acetate 114.51
    THF 264.01
    2-butanone 158.26
    n-pentanol 185.1
    sec-butanol 299.1
    n-hexane 37.37
    ethylene glycol 164.71
    NMP 160.36
    cyclohexane 18.46
    DMSO 170.0
    n-butyl acetate 113.41
    n-octanol 155.57
    chloroform 185.39
    n-propyl acetate 59.33
    acetic acid 149.63
    dichloromethane 95.71
    cyclohexanone 152.51
    propylene glycol 314.92
    isopropyl acetate 69.34
    DMAc 210.15
    2-ethoxyethanol 206.6
    isopentanol 220.43
    n-heptane 41.86
    ethyl formate 63.37
    1,2-dichloroethane 55.83
    n-hexanol 354.73
    2-methoxyethanol 324.74
    isobutyl acetate 54.86
    tetrachloromethane 47.91
    n-pentyl acetate 70.81
    transcutol 417.7
    n-heptanol 160.78
    ethylbenzene 33.11
    MIBK 83.43
    2-propoxyethanol 383.31
    tert-butanol 381.45
    MTBE 163.39
    2-butoxyethanol 213.34
    propionic acid 174.06
    o-xylene 37.39
    formic acid 69.94
    diethyl ether 93.33
    m-xylene 40.32
    p-xylene 42.78
    chlorobenzene 42.4
    dimethyl carbonate 33.14
    n-octane 15.03
    formamide 50.24
    cyclopentanone 189.17
    2-pentanone 113.74
    anisole 76.18
    cyclopentyl methyl ether 119.56
    gamma-butyrolactone 149.34
    1-methoxy-2-propanol 330.2
    pyridine 85.27
    3-pentanone 80.88
    furfural 144.01
    n-dodecane 12.5
    diethylene glycol 302.75
    diisopropyl ether 39.4
    tert-amyl alcohol 298.22
    acetylacetone 94.49
    n-hexadecane 13.21
    acetophenone 69.34
    methyl propionate 87.79
    isopentyl acetate 115.02
    trichloroethylene 118.52
    n-nonanol 126.64
    cyclohexanol 162.07
    benzyl alcohol 88.41
    2-ethylhexanol 169.28
    isooctanol 117.99
    dipropyl ether 109.59
    1,2-dichlorobenzene 45.62
    ethyl lactate 74.41
    propylene carbonate 90.67
    n-methylformamide 107.18
    2-pentanol 197.5
    n-pentane 26.47
    1-propoxy-2-propanol 305.64
    1-methoxy-2-propyl acetate 130.36
    2-(2-methoxypropoxy) propanol 185.15
    mesitylene 29.91
    ε-caprolactone 124.67
    p-cymene 43.82
    epichlorohydrin 128.97
    1,1,1-trichloroethane 87.84
    2-aminoethanol 282.12
    morpholine-4-carbaldehyde 199.35
    sulfolane 161.31
    2,2,4-trimethylpentane 21.26
    2-methyltetrahydrofuran 201.66
    n-hexyl acetate 125.35
    isooctane 18.33
    2-(2-butoxyethoxy)ethanol 237.0
    sec-butyl acetate 51.58
    tert-butyl acetate 90.45
    decalin 18.27
    glycerin 314.23
    diglyme 287.42
    acrylic acid 133.92
    isopropyl myristate 57.29
    n-butyric acid 193.71
    acetyl acetate 51.41
    di(2-ethylhexyl) phthalate 63.7
    ethyl propionate 55.14
    nitromethane 116.07
    1,2-diethoxyethane 107.94
    benzonitrile 73.84
    trioctyl phosphate 55.13
    1-bromopropane 59.62
    gamma-valerolactone 209.76
    n-decanol 96.51
    triethyl phosphate 49.01
    4-methyl-2-pentanol 119.85
    propionitrile 111.32
    vinylene carbonate 77.84
    1,1,2-trichlorotrifluoroethane 178.68
    DMS 64.24
    cumene 35.63
    2-octanol 103.87
    2-hexanone 90.32
    octyl acetate 75.48
    limonene 67.02
    1,2-dimethoxyethane 215.03
    ethyl orthosilicate 51.99
    tributyl phosphate 56.13
    diacetone alcohol 176.64
    N,N-dimethylaniline 66.55
    acrylonitrile 105.14
    aniline 73.71
    1,3-propanediol 268.72
    bromobenzene 33.93
    dibromomethane 76.47
    1,1,2,2-tetrachloroethane 128.37
    2-methyl-cyclohexyl acetate 86.06
    tetrabutyl urea 72.55
    diisobutyl methanol 93.72
    2-phenylethanol 126.65
    styrene 33.58
    dioctyl adipate 72.71
    dimethyl sulfate 54.16
    ethyl butyrate 76.73
    methyl lactate 104.36
    butyl lactate 98.4
    diethyl carbonate 50.3
    propanediol butyl ether 243.11
    triethyl orthoformate 71.25
    p-tert-butyltoluene 46.74
    methyl 4-tert-butylbenzoate 100.5
    morpholine 206.53
    tert-butylamine 235.12
    n-dodecanol 73.5
    dimethoxymethane 108.42
    ethylene carbonate 62.58
    cyrene 121.96
    2-ethoxyethyl acetate 83.41
    2-ethylhexyl acetate 86.15
    1,2,4-trichlorobenzene 60.69
    4-methylpyridine 95.63
    dibutyl ether 83.64
    2,6-dimethyl-4-heptanol 93.72
    DEF 111.43
    dimethyl isosorbide 196.49
    tetrachloroethylene 87.57
    eugenol 120.16
    triacetin 104.95
    span 80 191.79
    1,4-butanediol 135.55
    1,1-dichloroethane 91.26
    2-methyl-1-pentanol 161.07
    methyl formate 65.9
    2-methyl-1-butanol 209.73
    n-decane 20.89
    butyronitrile 116.58
    3,7-dimethyl-1-octanol 139.64
    1-chlorooctane 61.49
    1-chlorotetradecane 25.38
    n-nonane 20.99
    undecane 15.62
    tert-butylcyclohexane 26.18
    cyclooctane 10.07
    cyclopentanol 194.43
    tetrahydropyran 155.28
    tert-amyl methyl ether 123.85
    2,5,8-trioxanonane 210.76
    1-hexene 89.94
    2-isopropoxyethanol 162.69
    2,2,2-trifluoroethanol 55.92
    methyl butyrate 74.01

    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