5-Hexen-2-ol, 2-methyl-

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  • Identifiers

    CAS number
    16744-89-1

    Molecular formula
    C7H14O

    SMILES
    CC(C)(CCC=C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 68.75%
    Fruity 58.74%
    Fresh 56.74%
    Floral 55.96%
    Green 54.45%
    Citrus 51.08%
    Earthy 43.43%
    Lavender 39.36%
    Woody 37.53%
    Sweet 35.02%

     

    Flavor
    Floral 65.25%
    Green 51.31%
    Citrus 43.07%
    Oily 41.33%
    Woody 38.99%
    Fresh 34.22%
    Lily 33.71%
    Sweet 30.48%
    Tropical 30.09%
    Lavender 29.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    9.95 (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

    • 40.81 ˚C est.

  • Synonyms

    • 2-methylhex-5-en-2-ol
    • 16744-89-1
    • 5-Hexen-2-ol, 2-methyl-
    • DTXSID10168286
    • RefChem:536100
    • DTXCID3090777
    • 970-722-7
    • 2-Methyl-5-hexen-2-ol
    • 2-METHYL-5-HEXENE-2-OL
    • 2-methyl-hex-5-en-2-ol
    • SCHEMBL792741
    • SCHEMBL1442364
    • SCHEMBL5156398
    • SCHEMBL8101779
    • SCHEMBL8384875
    • MFCD00060888
    • AKOS006274363
    • AT48930
    • DA-09486
    • SY509527
    • EN300-140168
    • 16744-89-1

  • Applications

    5-Hexen-2-ol, 2-methyl- (CAS 16744-89-1) is primarily used as a chemical building block in fragrance chemistry, functioning as an odorant or precursor for aroma compounds. It may be employed in cosmetics and personal-care formulations as a fragrance component or intermediate. In industrial manufacturing, it serves as an organic-synthesis intermediate for subsequent transformations. Its allylic alcohol and terminal alkene functionality also enable it to act as a versatile building block for specialty polymers, coatings, and adhesives, where it can participate in polymerization or serve as a reactive site in coating resins. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 135.49
    methanol 188.72
    isopropanol 164.92
    water 6.87
    ethyl acetate 66.11
    n-propanol 146.8
    acetone 86.35
    n-butanol 158.07
    acetonitrile 43.54
    DMF 145.27
    toluene 33.42
    isobutanol 131.27
    1,4-dioxane 118.59
    methyl acetate 75.89
    THF 195.25
    2-butanone 98.36
    n-pentanol 110.36
    sec-butanol 174.52
    n-hexane 76.85
    ethylene glycol 81.51
    NMP 149.29
    cyclohexane 39.54
    DMSO 92.67
    n-butyl acetate 86.19
    n-octanol 157.75
    chloroform 131.14
    n-propyl acetate 47.1
    acetic acid 74.85
    dichloromethane 62.82
    cyclohexanone 121.18
    propylene glycol 165.04
    isopropyl acetate 57.99
    DMAc 191.71
    2-ethoxyethanol 117.44
    isopentanol 147.04
    n-heptane 78.77
    ethyl formate 38.5
    1,2-dichloroethane 39.45
    n-hexanol 273.85
    2-methoxyethanol 175.48
    isobutyl acetate 50.25
    tetrachloromethane 45.23
    n-pentyl acetate 64.42
    transcutol 296.0
    n-heptanol 140.88
    ethylbenzene 35.41
    MIBK 76.92
    2-propoxyethanol 272.48
    tert-butanol 245.35
    MTBE 156.58
    2-butoxyethanol 152.83
    propionic acid 107.05
    o-xylene 45.48
    formic acid 38.45
    diethyl ether 88.96
    m-xylene 44.73
    p-xylene 46.96
    chlorobenzene 35.31
    dimethyl carbonate 31.42
    n-octane 29.89
    formamide 26.17
    cyclopentanone 133.75
    2-pentanone 82.64
    anisole 64.73
    cyclopentyl methyl ether 121.11
    gamma-butyrolactone 106.3
    1-methoxy-2-propanol 205.11
    pyridine 54.02
    3-pentanone 72.46
    furfural 94.96
    n-dodecane 24.31
    diethylene glycol 188.62
    diisopropyl ether 57.02
    tert-amyl alcohol 245.97
    acetylacetone 73.19
    n-hexadecane 25.1
    acetophenone 59.59
    methyl propionate 69.05
    isopentyl acetate 98.37
    trichloroethylene 78.22
    n-nonanol 136.07
    cyclohexanol 137.24
    benzyl alcohol 59.58
    2-ethylhexanol 167.53
    isooctanol 113.08
    dipropyl ether 125.05
    1,2-dichlorobenzene 42.13
    ethyl lactate 62.08
    propylene carbonate 74.55
    n-methylformamide 59.36
    2-pentanol 141.6
    n-pentane 52.08
    1-propoxy-2-propanol 251.45
    1-methoxy-2-propyl acetate 115.35
    2-(2-methoxypropoxy) propanol 170.27
    mesitylene 39.28
    ε-caprolactone 103.1
    p-cymene 52.19
    epichlorohydrin 87.33
    1,1,1-trichloroethane 74.63
    2-aminoethanol 130.22
    morpholine-4-carbaldehyde 155.55
    sulfolane 140.05
    2,2,4-trimethylpentane 42.47
    2-methyltetrahydrofuran 156.77
    n-hexyl acetate 129.9
    isooctane 35.15
    2-(2-butoxyethoxy)ethanol 194.38
    sec-butyl acetate 49.2
    tert-butyl acetate 89.72
    decalin 33.69
    glycerin 178.92
    diglyme 220.98
    acrylic acid 79.22
    isopropyl myristate 69.52
    n-butyric acid 111.83
    acetyl acetate 42.64
    di(2-ethylhexyl) phthalate 67.32
    ethyl propionate 50.98
    nitromethane 61.99
    1,2-diethoxyethane 92.06
    benzonitrile 49.54
    trioctyl phosphate 60.37
    1-bromopropane 55.54
    gamma-valerolactone 145.16
    n-decanol 106.74
    triethyl phosphate 52.32
    4-methyl-2-pentanol 110.32
    propionitrile 68.52
    vinylene carbonate 58.21
    1,1,2-trichlorotrifluoroethane 122.19
    DMS 65.54
    cumene 41.91
    2-octanol 102.71
    2-hexanone 73.93
    octyl acetate 85.76
    limonene 80.51
    1,2-dimethoxyethane 154.13
    ethyl orthosilicate 57.18
    tributyl phosphate 64.25
    diacetone alcohol 137.83
    N,N-dimethylaniline 69.06
    acrylonitrile 59.83
    aniline 53.27
    1,3-propanediol 123.26
    bromobenzene 30.77
    dibromomethane 58.35
    1,1,2,2-tetrachloroethane 99.43
    2-methyl-cyclohexyl acetate 92.16
    tetrabutyl urea 81.79
    diisobutyl methanol 106.44
    2-phenylethanol 95.04
    styrene 33.73
    dioctyl adipate 79.51
    dimethyl sulfate 51.44
    ethyl butyrate 68.8
    methyl lactate 84.47
    butyl lactate 85.48
    diethyl carbonate 48.05
    propanediol butyl ether 187.65
    triethyl orthoformate 71.39
    p-tert-butyltoluene 57.5
    methyl 4-tert-butylbenzoate 107.17
    morpholine 136.48
    tert-butylamine 187.08
    n-dodecanol 85.36
    dimethoxymethane 88.07
    ethylene carbonate 50.83
    cyrene 113.32
    2-ethoxyethyl acetate 67.94
    2-ethylhexyl acetate 83.44
    1,2,4-trichlorobenzene 54.81
    4-methylpyridine 65.47
    dibutyl ether 99.0
    2,6-dimethyl-4-heptanol 106.44
    DEF 88.95
    dimethyl isosorbide 183.14
    tetrachloroethylene 69.6
    eugenol 107.32
    triacetin 104.84
    span 80 184.8
    1,4-butanediol 70.29
    1,1-dichloroethane 66.29
    2-methyl-1-pentanol 117.88
    methyl formate 41.27
    2-methyl-1-butanol 147.17
    n-decane 39.3
    butyronitrile 68.19
    3,7-dimethyl-1-octanol 150.84
    1-chlorooctane 79.04
    1-chlorotetradecane 38.62
    n-nonane 40.54
    undecane 29.91
    tert-butylcyclohexane 47.09
    cyclooctane 24.65
    cyclopentanol 137.45
    tetrahydropyran 124.15
    tert-amyl methyl ether 148.74
    2,5,8-trioxanonane 178.63
    1-hexene 102.69
    2-isopropoxyethanol 109.93
    2,2,2-trifluoroethanol 36.11
    methyl butyrate 60.89

    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