3-(Propylthio)propene

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  • Identifiers

    CAS number
    27817-67-0

    Molecular formula
    C6H12S

    SMILES
    CCCSCC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Onion 81.14%
    Garlic 78.55%
    Sulfurous 75.17%
    Alliaceous 66.77%
    Pungent 47.4%
    Savory 47.01%
    Cooked 45.2%
    Vegetable 44.82%
    Radish 43.41%
    Cabbage 41.31%

     

    Flavor
    Onion 78.94%
    Garlic 72.88%
    Green 66.53%
    Sulfurous 55.63%
    Alliaceous 49.61%
    Metallic 43.5%
    Cabbage 30.63%
    Vegetable 30.51%
    Horseradish 30.01%
    Radish 30.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.17 (neutral)

    Molecular weight
    116.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    144°C

    Flash point

    • 29.98 ˚C est.

  • Synonyms

    • Allyl propyl sulfide
    • 27817-67-0
    • 3-(Propylthio)propene
    • Allyl n-propyl sulfide
    • 1-Propene, 3-(propylthio)-
    • 1-prop-2-enylsulfanylpropane
    • 3-(propylthio)-1-Propene
    • 6038AN0CTJ
    • EINECS 248-673-1
    • NSC-164926
    • DTXSID80182136
    • NSC 164926
    • Propyl allyl sulfide
    • Allylpropyl sulfide
    • Sulfide, allyl propyl
    • UNII-6038AN0CTJ
    • Allylpropylsulfid
    • C6H12S
    • 4-thia-1-heptene
    • MFCD00015220
    • Allyl n-propyl sulphide
    • 3-(propylsulfanyl)-1-propene
    • SCHEMBL3506130
    • DTXCID90104627
    • NSC164926
    • AKOS006228764
    • LS-13190
    • DB-003585
    • DB-067830
    • A1061
    • NS00021982
    • F13976
    • Q27263145
    • 248-673-1

  • Applications

    3-(Propylthio)propene (CAS 27817-67-0) is a reactive building block in organic synthesis and can act as a vinyl sulfide-type unit suitable as a monomer or crosslinker in polymer chemistries, particularly thiol-ene systems. Real-world uses include as an organic synthesis intermediate; as a monomer or crosslinking component for polymer and plastic formulations; as a reactive ingredient in coatings, paints, and inks to tailor film formation and chemical resistance; as a crosslinking agent in adhesive formulations and bonding systems; and as a fragrance/odorant precursor in perfumery-related applications after appropriate transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 857.11
    methanol 462.35
    isopropanol 753.0
    water 0.06
    ethyl acetate 792.64
    n-propanol 772.38
    acetone 1232.9
    n-butanol 886.33
    acetonitrile 536.47
    DMF 807.4
    toluene 655.35
    isobutanol 576.76
    1,4-dioxane 1671.27
    methyl acetate 598.29
    THF 3340.68
    2-butanone 997.34
    n-pentanol 517.39
    sec-butanol 684.44
    n-hexane 418.1
    ethylene glycol 69.95
    NMP 821.22
    cyclohexane 1096.23
    DMSO 1518.32
    n-butyl acetate 1909.64
    n-octanol 440.46
    chloroform 1568.99
    n-propyl acetate 583.03
    acetic acid 442.77
    dichloromethane 1480.77
    cyclohexanone 1931.88
    propylene glycol 142.14
    isopropyl acetate 471.1
    DMAc 483.1
    2-ethoxyethanol 440.5
    isopentanol 629.72
    n-heptane 1235.83
    ethyl formate 449.81
    1,2-dichloroethane 973.92
    n-hexanol 1411.3
    2-methoxyethanol 663.73
    isobutyl acetate 365.54
    tetrachloromethane 438.63
    n-pentyl acetate 589.25
    transcutol 1599.38
    n-heptanol 435.09
    ethylbenzene 279.68
    MIBK 492.15
    2-propoxyethanol 1125.46
    tert-butanol 852.29
    MTBE 796.37
    2-butoxyethanol 450.27
    propionic acid 424.38
    o-xylene 354.68
    formic acid 48.33
    diethyl ether 1154.18
    m-xylene 400.94
    p-xylene 332.25
    chlorobenzene 648.55
    dimethyl carbonate 129.7
    n-octane 234.54
    formamide 79.31
    cyclopentanone 1745.83
    2-pentanone 999.08
    anisole 387.08
    cyclopentyl methyl ether 1365.16
    gamma-butyrolactone 1278.74
    1-methoxy-2-propanol 590.0
    pyridine 1314.74
    3-pentanone 626.55
    furfural 801.11
    n-dodecane 109.9
    diethylene glycol 418.82
    diisopropyl ether 382.31
    tert-amyl alcohol 598.66
    acetylacetone 721.52
    n-hexadecane 128.44
    acetophenone 338.1
    methyl propionate 478.09
    isopentyl acetate 1167.55
    trichloroethylene 1381.05
    n-nonanol 377.33
    cyclohexanol 1042.7
    benzyl alcohol 280.94
    2-ethylhexanol 974.76
    isooctanol 319.01
    dipropyl ether 1900.72
    1,2-dichlorobenzene 465.41
    ethyl lactate 167.15
    propylene carbonate 652.25
    n-methylformamide 298.16
    2-pentanol 608.68
    n-pentane 451.1
    1-propoxy-2-propanol 1177.1
    1-methoxy-2-propyl acetate 785.41
    2-(2-methoxypropoxy) propanol 382.31
    mesitylene 270.03
    ε-caprolactone 1192.38
    p-cymene 436.29
    epichlorohydrin 1234.2
    1,1,1-trichloroethane 1070.31
    2-aminoethanol 177.82
    morpholine-4-carbaldehyde 806.49
    sulfolane 1347.51
    2,2,4-trimethylpentane 121.63
    2-methyltetrahydrofuran 2291.16
    n-hexyl acetate 692.03
    isooctane 119.69
    2-(2-butoxyethoxy)ethanol 558.3
    sec-butyl acetate 352.36
    tert-butyl acetate 498.85
    decalin 218.78
    glycerin 147.35
    diglyme 1065.26
    acrylic acid 252.86
    isopropyl myristate 312.06
    n-butyric acid 831.21
    acetyl acetate 361.38
    di(2-ethylhexyl) phthalate 210.15
    ethyl propionate 393.83
    nitromethane 576.56
    1,2-diethoxyethane 1225.91
    benzonitrile 512.07
    trioctyl phosphate 192.27
    1-bromopropane 1217.62
    gamma-valerolactone 1496.84
    n-decanol 278.16
    triethyl phosphate 260.02
    4-methyl-2-pentanol 293.65
    propionitrile 594.64
    vinylene carbonate 471.78
    1,1,2-trichlorotrifluoroethane 530.97
    DMS 303.99
    cumene 171.22
    2-octanol 305.46
    2-hexanone 686.88
    octyl acetate 364.93
    limonene 934.32
    1,2-dimethoxyethane 1046.68
    ethyl orthosilicate 284.59
    tributyl phosphate 246.75
    diacetone alcohol 462.56
    N,N-dimethylaniline 247.29
    acrylonitrile 486.61
    aniline 479.71
    1,3-propanediol 348.67
    bromobenzene 749.3
    dibromomethane 1339.17
    1,1,2,2-tetrachloroethane 1040.61
    2-methyl-cyclohexyl acetate 582.5
    tetrabutyl urea 370.0
    diisobutyl methanol 529.88
    2-phenylethanol 488.44
    styrene 376.47
    dioctyl adipate 364.0
    dimethyl sulfate 192.18
    ethyl butyrate 992.69
    methyl lactate 168.55
    butyl lactate 355.98
    diethyl carbonate 464.74
    propanediol butyl ether 354.49
    triethyl orthoformate 619.61
    p-tert-butyltoluene 411.59
    methyl 4-tert-butylbenzoate 300.2
    morpholine 1734.02
    tert-butylamine 648.55
    n-dodecanol 224.61
    dimethoxymethane 637.81
    ethylene carbonate 480.74
    cyrene 282.54
    2-ethoxyethyl acetate 551.05
    2-ethylhexyl acetate 994.41
    1,2,4-trichlorobenzene 472.85
    4-methylpyridine 1109.54
    dibutyl ether 1007.78
    2,6-dimethyl-4-heptanol 529.88
    DEF 747.74
    dimethyl isosorbide 737.74
    tetrachloroethylene 700.11
    eugenol 283.6
    triacetin 390.14
    span 80 467.22
    1,4-butanediol 136.68
    1,1-dichloroethane 1086.19
    2-methyl-1-pentanol 392.53
    methyl formate 232.6
    2-methyl-1-butanol 568.68
    n-decane 208.44
    butyronitrile 983.28
    3,7-dimethyl-1-octanol 450.41
    1-chlorooctane 439.6
    1-chlorotetradecane 179.84
    n-nonane 249.21
    undecane 144.02
    tert-butylcyclohexane 181.83
    cyclooctane 352.71
    cyclopentanol 997.91
    tetrahydropyran 2817.58
    tert-amyl methyl ether 562.51
    2,5,8-trioxanonane 672.87
    1-hexene 845.55
    2-isopropoxyethanol 346.51
    2,2,2-trifluoroethanol 74.53
    methyl butyrate 580.98

    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