Hex-5-en-3-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    688-99-3

    Molecular formula
    C6H12O

    SMILES
    CCC(CC=C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 71.22%
    Green 70.04%
    Earthy 44.41%
    Mushroom 39.29%
    Pungent 38.39%
    Metallic 35.6%
    Cheesy 34.33%
    Ethereal 33.78%
    Vegetable 32.37%
    Fermented 27.9%

     

    Flavor
    Green 44.22%
    Bitter 38.95%
    Pungent 32.77%
    Oily 30.99%
    Tropical 30.23%
    Vegetable 29.56%
    Onion 25.67%
    Spicy 25.1%
    Fishy 24.38%
    Fruity 24.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.8 (weak base)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    136°C

    Flash point

    • 35.93 ˚C est.

  • Synonyms

    • hex-5-en-3-ol
    • 5-Hexen-3-ol
    • DTXSID20988513
    • RefChem:784377
    • DTXCID20968890
    • 822-707-0
    • 688-99-3
    • 5-?Hexen-?3-?ol
    • 3-Hydroxy-5-hexene; 4-Hydroxy-1-hexene
    • 3-hydroxy-5-hexene
    • 1-hexen-4-ol
    • SCHEMBL314733
    • SCHEMBL314735
    • SCHEMBL505745
    • SCHEMBL709351
    • SCHEMBL5080800
    • SCHEMBL5335169
    • SCHEMBL7791824
    • SCHEMBL28241383
    • AKOS010638158
    • CS-0238036
    • EN300-189235
    • Z808662120
    • 688-99-3

  • Applications

    Hex-5-en-3-ol (CAS 688-99-3) is used as a synthetic building block in fragrance chemistry, enabling the synthesis of alkenyl alcohol derivatives and can function as an odorant component in perfumery formulations. It may be used as a flavor precursor in aroma formulations and is sometimes considered for cosmetic and personal care applications as a fragrance ingredient or reactive intermediate. In cleaning products and household formulations, it can contribute to the fragrance profile as an odorant additive. In industrial manufacturing, Hex-5-en-3-ol is used as a starting material for the synthesis of fragrance-related compounds and other specialty chemicals, within regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 616.72
    methanol 685.99
    isopropanol 562.12
    water 2.54
    ethyl acetate 206.09
    n-propanol 538.27
    acetone 308.79
    n-butanol 548.2
    acetonitrile 201.22
    DMF 260.19
    toluene 60.22
    isobutanol 420.37
    1,4-dioxane 402.81
    methyl acetate 196.6
    THF 748.53
    2-butanone 277.97
    n-pentanol 381.35
    sec-butanol 519.31
    n-hexane 142.59
    ethylene glycol 127.09
    NMP 322.36
    cyclohexane 85.75
    DMSO 463.5
    n-butyl acetate 353.86
    n-octanol 235.1
    chloroform 377.93
    n-propyl acetate 180.4
    acetic acid 307.58
    dichloromethane 258.85
    cyclohexanone 372.47
    propylene glycol 205.65
    isopropyl acetate 145.76
    DMAc 193.77
    2-ethoxyethanol 314.17
    isopentanol 440.16
    n-heptane 121.68
    ethyl formate 138.56
    1,2-dichloroethane 160.38
    n-hexanol 642.71
    2-methoxyethanol 443.01
    isobutyl acetate 143.25
    tetrachloromethane 109.57
    n-pentyl acetate 167.84
    transcutol 822.5
    n-heptanol 242.95
    ethylbenzene 51.5
    MIBK 176.54
    2-propoxyethanol 554.16
    tert-butanol 656.52
    MTBE 397.99
    2-butoxyethanol 276.52
    propionic acid 300.82
    o-xylene 58.45
    formic acid 96.27
    diethyl ether 295.98
    m-xylene 66.04
    p-xylene 70.73
    chlorobenzene 103.72
    dimethyl carbonate 38.71
    n-octane 40.07
    formamide 73.51
    cyclopentanone 407.72
    2-pentanone 249.24
    anisole 109.13
    cyclopentyl methyl ether 316.17
    gamma-butyrolactone 365.06
    1-methoxy-2-propanol 366.98
    pyridine 184.29
    3-pentanone 147.11
    furfural 259.33
    n-dodecane 28.87
    diethylene glycol 334.27
    diisopropyl ether 119.13
    tert-amyl alcohol 503.67
    acetylacetone 178.85
    n-hexadecane 30.31
    acetophenone 102.42
    methyl propionate 139.74
    isopentyl acetate 297.26
    trichloroethylene 269.71
    n-nonanol 191.41
    cyclohexanol 364.94
    benzyl alcohol 120.77
    2-ethylhexanol 356.48
    isooctanol 198.08
    dipropyl ether 312.9
    1,2-dichlorobenzene 99.33
    ethyl lactate 93.42
    propylene carbonate 199.78
    n-methylformamide 146.53
    2-pentanol 394.35
    n-pentane 109.28
    1-propoxy-2-propanol 470.15
    1-methoxy-2-propyl acetate 212.52
    2-(2-methoxypropoxy) propanol 225.42
    mesitylene 54.8
    ε-caprolactone 290.46
    p-cymene 74.04
    epichlorohydrin 311.31
    1,1,1-trichloroethane 197.69
    2-aminoethanol 263.61
    morpholine-4-carbaldehyde 283.82
    sulfolane 430.41
    2,2,4-trimethylpentane 60.87
    2-methyltetrahydrofuran 568.41
    n-hexyl acetate 243.21
    isooctane 56.96
    2-(2-butoxyethoxy)ethanol 320.21
    sec-butyl acetate 126.3
    tert-butyl acetate 184.59
    decalin 48.36
    glycerin 225.64
    diglyme 423.24
    acrylic acid 196.91
    isopropyl myristate 106.52
    n-butyric acid 414.2
    acetyl acetate 102.92
    di(2-ethylhexyl) phthalate 96.29
    ethyl propionate 120.82
    nitromethane 252.74
    1,2-diethoxyethane 285.8
    benzonitrile 139.62
    trioctyl phosphate 87.87
    1-bromopropane 210.69
    gamma-valerolactone 366.89
    n-decanol 145.9
    triethyl phosphate 79.31
    4-methyl-2-pentanol 219.0
    propionitrile 218.09
    vinylene carbonate 147.45
    1,1,2-trichlorotrifluoroethane 231.26
    DMS 98.37
    cumene 56.2
    2-octanol 168.56
    2-hexanone 244.59
    octyl acetate 129.33
    limonene 140.41
    1,2-dimethoxyethane 416.31
    ethyl orthosilicate 88.15
    tributyl phosphate 101.62
    diacetone alcohol 240.02
    N,N-dimethylaniline 87.09
    acrylonitrile 179.82
    aniline 115.46
    1,3-propanediol 347.76
    bromobenzene 91.73
    dibromomethane 222.52
    1,1,2,2-tetrachloroethane 257.26
    2-methyl-cyclohexyl acetate 170.7
    tetrabutyl urea 116.51
    diisobutyl methanol 171.93
    2-phenylethanol 176.73
    styrene 60.4
    dioctyl adipate 126.3
    dimethyl sulfate 70.29
    ethyl butyrate 199.03
    methyl lactate 101.79
    butyl lactate 151.36
    diethyl carbonate 106.65
    propanediol butyl ether 279.64
    triethyl orthoformate 144.89
    p-tert-butyltoluene 74.4
    methyl 4-tert-butylbenzoate 137.61
    morpholine 458.87
    tert-butylamine 460.01
    n-dodecanol 114.34
    dimethoxymethane 171.15
    ethylene carbonate 131.91
    cyrene 163.12
    2-ethoxyethyl acetate 162.04
    2-ethylhexyl acetate 230.8
    1,2,4-trichlorobenzene 118.3
    4-methylpyridine 187.28
    dibutyl ether 228.8
    2,6-dimethyl-4-heptanol 171.93
    DEF 200.3
    dimethyl isosorbide 300.21
    tetrachloroethylene 187.11
    eugenol 148.15
    triacetin 165.69
    span 80 252.57
    1,4-butanediol 165.57
    1,1-dichloroethane 224.88
    2-methyl-1-pentanol 328.6
    methyl formate 92.65
    2-methyl-1-butanol 410.28
    n-decane 47.46
    butyronitrile 281.02
    3,7-dimethyl-1-octanol 237.84
    1-chlorooctane 126.9
    1-chlorotetradecane 53.03
    n-nonane 50.78
    undecane 35.88
    tert-butylcyclohexane 62.98
    cyclooctane 36.76
    cyclopentanol 402.46
    tetrahydropyran 492.76
    tert-amyl methyl ether 267.16
    2,5,8-trioxanonane 321.95
    1-hexene 288.77
    2-isopropoxyethanol 245.28
    2,2,2-trifluoroethanol 76.65
    methyl butyrate 178.18

    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