2-(5-Hexenylthio)ethanol

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  • Identifiers

    CAS number
    82010-85-3

    Molecular formula
    C8H16OS

    SMILES
    C=CCCCCSCCO

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 51.91%
    Meaty 50.78%
    Fatty 47.63%
    Citrus 46.6%
    Fruity 40.09%
    Savory 39.93%
    Onion 39.88%
    Green 39.43%
    Roasted 37.51%
    Tropical 34.7%

     

    Flavor
    Green 47.13%
    Sulfurous 46.62%
    Onion 41.29%
    Metallic 34.75%
    Garlic 34.6%
    Sulfury 30.16%
    Fatty 28.91%
    Vegetable 28.34%
    Radish 27.42%
    Tropical 25.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.57 (neutral)

    Molecular weight
    160.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 108.11 ˚C est.

  • Synonyms

    • 2-(5-Hexenylthio)ethanol
    • 82010-85-3
    • EINECS 279-880-5
    • SCHEMBL28017441
    • QLRYIIWLWDKURG-UHFFFAOYSA-N
    • DTXSID901002381
    • 2-[(Hex-5-en-1-yl)sulfanyl]ethan-1-ol
    • NS00060319
    • 82010-85-3

  • Applications

    2-(5-Hexenylthio)ethanol (CAS 82010-85-3) is a hydroxy-functional, vinyl-containing monomer used as a reactive intermediate in polymer synthesis; the hydroxyl group enables incorporation into polyurethane and epoxy formulations as a chain extender or co-monomer, while the pendant vinyl group provides sites for crosslinking or copolymerization. In coatings and inks, it is employed to introduce functional hydroxyl and vinyl functionality that improves adhesion and enables UV-curing systems. In adhesives and sealants, its hydroxyl moiety promotes substrate wetting and bonding, with the vinyl group allowing post-cure crosslinking. As a building block for specialty polymers and functional materials, it supports engineered networks with tailored properties. Overall, it serves as a versatile intermediate in industrial manufacturing where a small monomer bearing one hydroxyl and one vinyl functionality is advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4992.71
    methanol 5170.52
    isopropanol 3873.12
    water 0.72
    ethyl acetate 1709.83
    n-propanol 3742.21
    acetone 4980.24
    n-butanol 3320.76
    acetonitrile 1124.59
    DMF 2829.6
    toluene 465.22
    isobutanol 2420.01
    1,4-dioxane 3207.95
    methyl acetate 1304.39
    THF 6102.17
    2-butanone 2339.79
    n-pentanol 1842.93
    sec-butanol 2395.56
    n-hexane 188.62
    ethylene glycol 739.73
    NMP 1484.44
    cyclohexane 463.54
    DMSO 7723.77
    n-butyl acetate 1569.0
    n-octanol 457.58
    chloroform 1168.91
    n-propyl acetate 1167.79
    acetic acid 2357.23
    dichloromethane 1003.38
    cyclohexanone 3339.23
    propylene glycol 1137.69
    isopropyl acetate 863.96
    DMAc 1177.1
    2-ethoxyethanol 2295.52
    isopentanol 2127.13
    n-heptane 222.53
    ethyl formate 942.08
    1,2-dichloroethane 1196.16
    n-hexanol 1882.99
    2-methoxyethanol 4275.02
    isobutyl acetate 607.22
    tetrachloromethane 284.85
    n-pentyl acetate 606.95
    transcutol 4892.48
    n-heptanol 552.2
    ethylbenzene 189.06
    MIBK 1000.98
    2-propoxyethanol 2243.46
    tert-butanol 3588.19
    MTBE 1650.27
    2-butoxyethanol 945.95
    propionic acid 1648.76
    o-xylene 262.2
    formic acid 643.19
    diethyl ether 1776.68
    m-xylene 335.67
    p-xylene 228.44
    chlorobenzene 505.14
    dimethyl carbonate 255.11
    n-octane 50.57
    formamide 933.94
    cyclopentanone 3558.06
    2-pentanone 2334.81
    anisole 459.87
    cyclopentyl methyl ether 2312.61
    gamma-butyrolactone 2597.51
    1-methoxy-2-propanol 2791.99
    pyridine 1793.53
    3-pentanone 1125.63
    furfural 1568.34
    n-dodecane 26.78
    diethylene glycol 1449.29
    diisopropyl ether 444.81
    tert-amyl alcohol 1919.63
    acetylacetone 1594.06
    n-hexadecane 30.85
    acetophenone 433.64
    methyl propionate 1103.01
    isopentyl acetate 1064.35
    trichloroethylene 1846.43
    n-nonanol 373.86
    cyclohexanol 2464.12
    benzyl alcohol 556.21
    2-ethylhexanol 863.28
    isooctanol 407.58
    dipropyl ether 1275.42
    1,2-dichlorobenzene 385.0
    ethyl lactate 364.41
    propylene carbonate 997.1
    n-methylformamide 1714.53
    2-pentanol 1845.96
    n-pentane 193.67
    1-propoxy-2-propanol 1848.01
    1-methoxy-2-propyl acetate 1054.28
    2-(2-methoxypropoxy) propanol 592.9
    mesitylene 210.54
    ε-caprolactone 1901.14
    p-cymene 186.51
    epichlorohydrin 2565.7
    1,1,1-trichloroethane 957.76
    2-aminoethanol 1722.91
    morpholine-4-carbaldehyde 1793.1
    sulfolane 2984.72
    2,2,4-trimethylpentane 74.85
    2-methyltetrahydrofuran 3763.25
    n-hexyl acetate 714.37
    isooctane 73.07
    2-(2-butoxyethoxy)ethanol 1017.47
    sec-butyl acetate 584.77
    tert-butyl acetate 971.1
    decalin 96.48
    glycerin 1158.6
    diglyme 1999.84
    acrylic acid 983.18
    isopropyl myristate 219.93
    n-butyric acid 2697.35
    acetyl acetate 613.49
    di(2-ethylhexyl) phthalate 193.01
    ethyl propionate 642.83
    nitromethane 2484.6
    1,2-diethoxyethane 1643.71
    benzonitrile 592.82
    trioctyl phosphate 170.03
    1-bromopropane 756.49
    gamma-valerolactone 3476.54
    n-decanol 255.21
    triethyl phosphate 251.1
    4-methyl-2-pentanol 686.21
    propionitrile 1103.81
    vinylene carbonate 763.86
    1,1,2-trichlorotrifluoroethane 1549.64
    DMS 357.05
    cumene 129.72
    2-octanol 335.0
    2-hexanone 1287.4
    octyl acetate 282.42
    limonene 449.38
    1,2-dimethoxyethane 2822.87
    ethyl orthosilicate 283.34
    tributyl phosphate 224.71
    diacetone alcohol 1370.44
    N,N-dimethylaniline 272.54
    acrylonitrile 1084.77
    aniline 831.27
    1,3-propanediol 2541.39
    bromobenzene 448.6
    dibromomethane 827.05
    1,1,2,2-tetrachloroethane 1532.11
    2-methyl-cyclohexyl acetate 516.69
    tetrabutyl urea 300.37
    diisobutyl methanol 430.63
    2-phenylethanol 594.71
    styrene 263.68
    dioctyl adipate 332.8
    dimethyl sulfate 425.0
    ethyl butyrate 864.87
    methyl lactate 511.08
    butyl lactate 472.98
    diethyl carbonate 402.08
    propanediol butyl ether 839.15
    triethyl orthoformate 585.9
    p-tert-butyltoluene 188.96
    methyl 4-tert-butylbenzoate 362.07
    morpholine 4667.9
    tert-butylamine 1771.55
    n-dodecanol 186.35
    dimethoxymethane 1843.98
    ethylene carbonate 777.2
    cyrene 512.29
    2-ethoxyethyl acetate 761.37
    2-ethylhexyl acetate 776.22
    1,2,4-trichlorobenzene 458.54
    4-methylpyridine 1398.76
    dibutyl ether 683.95
    2,6-dimethyl-4-heptanol 430.63
    DEF 1571.77
    dimethyl isosorbide 940.63
    tetrachloroethylene 1178.89
    eugenol 387.84
    triacetin 515.39
    span 80 626.51
    1,4-butanediol 847.94
    1,1-dichloroethane 1110.41
    2-methyl-1-pentanol 1058.97
    methyl formate 986.56
    2-methyl-1-butanol 1883.29
    n-decane 55.15
    butyronitrile 1564.07
    3,7-dimethyl-1-octanol 445.16
    1-chlorooctane 236.33
    1-chlorotetradecane 75.16
    n-nonane 61.44
    undecane 36.1
    tert-butylcyclohexane 89.11
    cyclooctane 119.33
    cyclopentanol 2641.82
    tetrahydropyran 4885.1
    tert-amyl methyl ether 965.23
    2,5,8-trioxanonane 1096.32
    1-hexene 630.95
    2-isopropoxyethanol 1274.18
    2,2,2-trifluoroethanol 399.28
    methyl butyrate 1079.24

    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