1-[(But-2-en-1-yl)sulfanyl]but-2-ene

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  • Identifiers

    CAS number
    5622-73-1

    Molecular formula
    C8H14S

    SMILES
    CC=CCSCC=CC

  • Odor profile

    Fragrance
    Onion 70.64%
    Sulfurous 62.67%
    Garlic 61.68%
    Alliaceous 50.97%
    Savory 40.71%
    Meaty 39.88%
    Pungent 38.48%
    Roasted 35.79%
    Cooked 35.22%
    Spicy 31.41%

     

    Flavor
    Onion 55.09%
    Sulfurous 54.27%
    Garlic 45.08%
    Alliaceous 41.43%
    Green 31.1%
    Metallic 28.33%
    Radish 23.05%
    Horseradish 22.26%
    Cooked 22.02%
    Greasy 21.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.37 (neutral)

    Molecular weight
    142.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    191°C

    Flash point

    • 64.81 ˚C est.

  • Synonyms

    • 5622-73-1
    • 1-[(But-2-en-1-yl)sulfanyl]but-2-ene
    • bis(2-butenyl) sulfide
    • DTXSID50707032

  • Applications

    Compound 1-[(But-2-en-1-yl)sulfanyl]but-2-ene (CAS 5622-73-1) has practical applications across several industrial sectors: it functions as an organic synthetic intermediate to introduce both vinyl and thioether functionalities into molecules; it is a functional monomer or additive for polymer and coating systems, enabling network formation or post-polymerization modifications; it serves as a precursor for fragrance and odor-active compounds in perfumery, cosmetics, and household products; it can be used as a reactive monomer or additive for UV-curable coatings and inks; and it provides a building block for specialty chemical synthesis and materials research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 424.74
    methanol 179.11
    isopropanol 484.07
    water 0.02
    ethyl acetate 1282.04
    n-propanol 518.45
    acetone 1770.8
    n-butanol 701.77
    acetonitrile 615.81
    DMF 1005.79
    toluene 1609.02
    isobutanol 486.09
    1,4-dioxane 2303.65
    methyl acetate 912.5
    THF 4762.15
    2-butanone 1495.67
    n-pentanol 497.86
    sec-butanol 635.01
    n-hexane 1356.42
    ethylene glycol 41.03
    NMP 1498.51
    cyclohexane 3045.71
    DMSO 1472.39
    n-butyl acetate 1939.36
    n-octanol 518.72
    chloroform 3180.39
    n-propyl acetate 873.29
    acetic acid 369.32
    dichloromethane 2603.68
    cyclohexanone 3177.13
    propylene glycol 109.95
    isopropyl acetate 854.32
    DMAc 830.17
    2-ethoxyethanol 443.19
    isopentanol 692.18
    n-heptane 2014.16
    ethyl formate 471.14
    1,2-dichloroethane 1991.4
    n-hexanol 1118.43
    2-methoxyethanol 610.85
    isobutyl acetate 591.67
    tetrachloromethane 943.51
    n-pentyl acetate 853.38
    transcutol 1808.62
    n-heptanol 463.34
    ethylbenzene 675.86
    MIBK 871.68
    2-propoxyethanol 1004.13
    tert-butanol 911.38
    MTBE 1405.32
    2-butoxyethanol 513.07
    propionic acid 389.92
    o-xylene 813.29
    formic acid 28.8
    diethyl ether 2030.58
    m-xylene 848.15
    p-xylene 800.73
    chlorobenzene 1351.03
    dimethyl carbonate 268.8
    n-octane 514.71
    formamide 59.08
    cyclopentanone 3086.04
    2-pentanone 1618.08
    anisole 778.5
    cyclopentyl methyl ether 2853.05
    gamma-butyrolactone 2075.59
    1-methoxy-2-propanol 626.58
    pyridine 2030.57
    3-pentanone 1307.97
    furfural 1303.26
    n-dodecane 209.82
    diethylene glycol 355.87
    diisopropyl ether 821.75
    tert-amyl alcohol 810.4
    acetylacetone 1228.94
    n-hexadecane 252.52
    acetophenone 653.09
    methyl propionate 820.6
    isopentyl acetate 1383.99
    trichloroethylene 2919.64
    n-nonanol 469.94
    cyclohexanol 1357.61
    benzyl alcohol 433.84
    2-ethylhexanol 1087.36
    isooctanol 417.19
    dipropyl ether 2633.61
    1,2-dichlorobenzene 1040.01
    ethyl lactate 254.29
    propylene carbonate 1126.67
    n-methylformamide 265.51
    2-pentanol 726.8
    n-pentane 1037.23
    1-propoxy-2-propanol 1136.11
    1-methoxy-2-propyl acetate 1018.49
    2-(2-methoxypropoxy) propanol 459.32
    mesitylene 617.34
    ε-caprolactone 1862.13
    p-cymene 647.84
    epichlorohydrin 2121.99
    1,1,1-trichloroethane 2703.2
    2-aminoethanol 113.88
    morpholine-4-carbaldehyde 1137.61
    sulfolane 2507.45
    2,2,4-trimethylpentane 328.16
    2-methyltetrahydrofuran 3591.5
    n-hexyl acetate 1036.37
    isooctane 307.15
    2-(2-butoxyethoxy)ethanol 666.01
    sec-butyl acetate 623.38
    tert-butyl acetate 980.99
    decalin 692.16
    glycerin 135.34
    diglyme 1322.37
    acrylic acid 275.32
    isopropyl myristate 499.08
    n-butyric acid 874.63
    acetyl acetate 663.39
    di(2-ethylhexyl) phthalate 285.75
    ethyl propionate 735.31
    nitromethane 641.19
    1,2-diethoxyethane 1636.24
    benzonitrile 805.94
    trioctyl phosphate 259.03
    1-bromopropane 2389.91
    gamma-valerolactone 2160.34
    n-decanol 357.48
    triethyl phosphate 440.64
    4-methyl-2-pentanol 410.92
    propionitrile 731.27
    vinylene carbonate 784.61
    1,1,2-trichlorotrifluoroethane 1010.85
    DMS 491.73
    cumene 422.13
    2-octanol 383.4
    2-hexanone 1087.58
    octyl acetate 536.49
    limonene 1417.35
    1,2-dimethoxyethane 1261.55
    ethyl orthosilicate 484.71
    tributyl phosphate 340.86
    diacetone alcohol 737.97
    N,N-dimethylaniline 547.17
    acrylonitrile 606.89
    aniline 860.8
    1,3-propanediol 235.32
    bromobenzene 1752.37
    dibromomethane 2527.8
    1,1,2,2-tetrachloroethane 2801.81
    2-methyl-cyclohexyl acetate 853.15
    tetrabutyl urea 479.19
    diisobutyl methanol 704.47
    2-phenylethanol 585.33
    styrene 882.64
    dioctyl adipate 570.23
    dimethyl sulfate 436.09
    ethyl butyrate 1349.2
    methyl lactate 248.76
    butyl lactate 451.52
    diethyl carbonate 689.27
    propanediol butyl ether 381.85
    triethyl orthoformate 892.32
    p-tert-butyltoluene 630.59
    methyl 4-tert-butylbenzoate 523.36
    morpholine 2394.09
    tert-butylamine 870.19
    n-dodecanol 296.09
    dimethoxymethane 849.58
    ethylene carbonate 772.4
    cyrene 445.36
    2-ethoxyethyl acetate 743.03
    2-ethylhexyl acetate 1283.13
    1,2,4-trichlorobenzene 1148.98
    4-methylpyridine 1823.44
    dibutyl ether 1685.92
    2,6-dimethyl-4-heptanol 704.47
    DEF 1216.3
    dimethyl isosorbide 1002.5
    tetrachloroethylene 1701.87
    eugenol 400.91
    triacetin 654.64
    span 80 576.08
    1,4-butanediol 101.03
    1,1-dichloroethane 2215.95
    2-methyl-1-pentanol 497.28
    methyl formate 257.07
    2-methyl-1-butanol 632.05
    n-decane 438.04
    butyronitrile 1027.91
    3,7-dimethyl-1-octanol 610.96
    1-chlorooctane 851.05
    1-chlorotetradecane 329.41
    n-nonane 554.35
    undecane 286.24
    tert-butylcyclohexane 515.72
    cyclooctane 1174.96
    cyclopentanol 1197.55
    tetrahydropyran 4294.53
    tert-amyl methyl ether 1161.35
    2,5,8-trioxanonane 840.26
    1-hexene 1842.89
    2-isopropoxyethanol 417.03
    2,2,2-trifluoroethanol 103.6
    methyl butyrate 961.5

    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