(2S)-hex-5-en-2-ol

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  • Identifiers

    CAS number
    17397-24-9

    Molecular formula
    C6H12O

    SMILES
    C[C@@H](CCC=C)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 83.48%
    Fruity 72.93%
    Earthy 54.75%
    Mushroom 46.51%
    Vegetable 43.69%
    Cheesy 41.4%
    Herbal 41.02%
    Fatty 40.87%
    Metallic 36.73%
    Oily 36.71%

     

    Flavor
    Green 57.22%
    Oily 32.33%
    Fresh 32.05%
    Vegetable 28.82%
    Tropical 28.57%
    Earthy 26.84%
    Mushroom 26.28%
    Fishy 24.64%
    Pungent 24.62%
    Metallic 24.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    9.09 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    142°C

    Flash point

    • 40.02 ˚C est.

  • Synonyms

    • 17397-24-9
    • (2S)-HEX-5-EN-2-OL
    • RefChem:398681
    • 626-090-7
    • 5-Hexen-2-ol, (2S)-
    • (S)-(+)-5-Hexen-2-ol
    • (+)-(S)-HEX-1-EN-5-OL
    • (S)-(+)-2-HYDROXYHEX-5-ENE
    • MFCD03701537
    • (S)-(+)-5-Hexen-2-ol (~90%)
    • (s)-5-hexen-2-ol
    • (2S)-5-Hexen-2-ol; (S)-(+)-1-Hexen-5-ol; (S)-Hex-5-en-2-ol
    • (s)-hex-5-en-2-ol
    • (2S)-5-Hexen-2-ol
    • 5-Hexen-2-ol,(2S)-
    • SCHEMBL282934
    • LNPNXWKVAFKIBX-LURJTMIESA-N
    • AKOS017343751
    • FH158200
    • SY307699
    • DB-005546
    • CS-0246373
    • EN300-322967
    • G32268
    • (S)-(+)-5-Hexen-2-ol, 97%, optical purity99.3%
    • 17397-24-9

  • Applications

    (2S)-hex-5-en-2-ol (CAS 17397-24-9) is primarily used as a chiral building block and synthetic intermediate in chemical manufacturing, supporting development in pharmaceuticals and agrochemicals. In perfumery and cosmetics it may be used as a reactive allylic alcohol for derivatization of fragrance ingredients or as a minor aroma component in formulations. In the food-flavor realm, it may be explored as an intermediate for constructing aroma-active compounds. In industrial manufacturing it provides stereochemically defined functionality for downstream transformations and can serve as a precursor to functionalized polymers or specialty materials, with use subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 334.68
    methanol 383.33
    isopropanol 315.26
    water 5.41
    ethyl acetate 80.19
    n-propanol 297.93
    acetone 141.2
    n-butanol 297.7
    acetonitrile 74.49
    DMF 206.65
    toluene 26.82
    isobutanol 236.63
    1,4-dioxane 164.47
    methyl acetate 87.0
    THF 297.87
    2-butanone 118.26
    n-pentanol 195.97
    sec-butanol 277.68
    n-hexane 54.02
    ethylene glycol 142.6
    NMP 178.92
    cyclohexane 29.28
    DMSO 227.82
    n-butyl acetate 126.63
    n-octanol 138.55
    chloroform 142.59
    n-propyl acetate 64.6
    acetic acid 164.72
    dichloromethane 76.27
    cyclohexanone 162.71
    propylene glycol 232.58
    isopropyl acetate 59.65
    DMAc 169.43
    2-ethoxyethanol 182.75
    isopentanol 229.35
    n-heptane 57.35
    ethyl formate 56.5
    1,2-dichloroethane 52.05
    n-hexanol 373.06
    2-methoxyethanol 290.11
    isobutyl acetate 58.17
    tetrachloromethane 44.24
    n-pentyl acetate 69.5
    transcutol 394.04
    n-heptanol 146.82
    ethylbenzene 25.46
    MIBK 86.24
    2-propoxyethanol 349.77
    tert-butanol 360.53
    MTBE 161.37
    2-butoxyethanol 184.16
    propionic acid 177.46
    o-xylene 33.1
    formic acid 68.23
    diethyl ether 99.05
    m-xylene 36.32
    p-xylene 34.18
    chlorobenzene 39.98
    dimethyl carbonate 26.16
    n-octane 17.69
    formamide 45.13
    cyclopentanone 189.6
    2-pentanone 107.8
    anisole 60.14
    cyclopentyl methyl ether 137.6
    gamma-butyrolactone 156.77
    1-methoxy-2-propanol 268.52
    pyridine 76.82
    3-pentanone 68.81
    furfural 133.74
    n-dodecane 13.92
    diethylene glycol 261.01
    diisopropyl ether 45.29
    tert-amyl alcohol 278.96
    acetylacetone 85.89
    n-hexadecane 14.62
    acetophenone 57.06
    methyl propionate 72.23
    isopentyl acetate 114.38
    trichloroethylene 98.58
    n-nonanol 112.83
    cyclohexanol 190.6
    benzyl alcohol 72.81
    2-ethylhexanol 182.16
    isooctanol 110.45
    dipropyl ether 131.55
    1,2-dichlorobenzene 42.49
    ethyl lactate 63.47
    propylene carbonate 89.49
    n-methylformamide 98.95
    2-pentanol 206.59
    n-pentane 38.34
    1-propoxy-2-propanol 286.1
    1-methoxy-2-propyl acetate 109.36
    2-(2-methoxypropoxy) propanol 155.16
    mesitylene 29.3
    ε-caprolactone 123.25
    p-cymene 39.42
    epichlorohydrin 121.54
    1,1,1-trichloroethane 73.84
    2-aminoethanol 242.36
    morpholine-4-carbaldehyde 179.47
    sulfolane 200.09
    2,2,4-trimethylpentane 27.15
    2-methyltetrahydrofuran 221.31
    n-hexyl acetate 116.01
    isooctane 24.61
    2-(2-butoxyethoxy)ethanol 201.54
    sec-butyl acetate 49.07
    tert-butyl acetate 81.11
    decalin 22.26
    glycerin 242.17
    diglyme 250.08
    acrylic acid 126.34
    isopropyl myristate 53.39
    n-butyric acid 198.95
    acetyl acetate 46.1
    di(2-ethylhexyl) phthalate 56.96
    ethyl propionate 51.38
    nitromethane 112.56
    1,2-diethoxyethane 107.25
    benzonitrile 65.45
    trioctyl phosphate 51.14
    1-bromopropane 62.53
    gamma-valerolactone 181.49
    n-decanol 85.61
    triethyl phosphate 45.24
    4-methyl-2-pentanol 120.45
    propionitrile 97.67
    vinylene carbonate 72.1
    1,1,2-trichlorotrifluoroethane 150.26
    DMS 54.9
    cumene 29.22
    2-octanol 92.8
    2-hexanone 96.41
    octyl acetate 66.13
    limonene 68.69
    1,2-dimethoxyethane 204.52
    ethyl orthosilicate 49.25
    tributyl phosphate 55.46
    diacetone alcohol 149.65
    N,N-dimethylaniline 55.11
    acrylonitrile 89.98
    aniline 64.89
    1,3-propanediol 247.14
    bromobenzene 32.12
    dibromomethane 68.43
    1,1,2,2-tetrachloroethane 105.96
    2-methyl-cyclohexyl acetate 81.92
    tetrabutyl urea 71.27
    diisobutyl methanol 95.36
    2-phenylethanol 105.46
    styrene 27.52
    dioctyl adipate 66.61
    dimethyl sulfate 48.85
    ethyl butyrate 78.88
    methyl lactate 80.14
    butyl lactate 88.51
    diethyl carbonate 48.73
    propanediol butyl ether 197.15
    triethyl orthoformate 69.59
    p-tert-butyltoluene 42.33
    methyl 4-tert-butylbenzoate 84.4
    morpholine 214.87
    tert-butylamine 236.07
    n-dodecanol 67.24
    dimethoxymethane 106.15
    ethylene carbonate 61.16
    cyrene 109.3
    2-ethoxyethyl acetate 73.5
    2-ethylhexyl acetate 88.33
    1,2,4-trichlorobenzene 52.89
    4-methylpyridine 83.14
    dibutyl ether 90.66
    2,6-dimethyl-4-heptanol 95.36
    DEF 108.56
    dimethyl isosorbide 176.73
    tetrachloroethylene 79.22
    eugenol 98.33
    triacetin 93.88
    span 80 171.06
    1,4-butanediol 126.31
    1,1-dichloroethane 76.09
    2-methyl-1-pentanol 164.15
    methyl formate 57.15
    2-methyl-1-butanol 222.33
    n-decane 22.37
    butyronitrile 115.49
    3,7-dimethyl-1-octanol 127.62
    1-chlorooctane 57.64
    1-chlorotetradecane 26.85
    n-nonane 22.94
    undecane 17.14
    tert-butylcyclohexane 29.84
    cyclooctane 14.62
    cyclopentanol 228.96
    tetrahydropyran 178.52
    tert-amyl methyl ether 122.38
    2,5,8-trioxanonane 201.4
    1-hexene 104.7
    2-isopropoxyethanol 147.42
    2,2,2-trifluoroethanol 47.64
    methyl butyrate 74.09

    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