1-(Methylthio)-1-propene

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  • Identifiers

    CAS number
    10152-77-9

    Molecular formula
    C4H8S

    SMILES
    CC=CSC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Onion 82.75%
    Garlic 81.1%
    Sulfurous 69.75%
    Alliaceous 62.15%
    Pungent 52.31%
    Cooked 47.68%
    Savory 46.28%
    Cabbage 38.71%
    Radish 37.38%
    Vegetable 32.97%

     

    Flavor
    Sulfurous 58.76%
    Onion 55.09%
    Garlic 49.22%
    Alliaceous 40.3%
    Green 35.1%
    Vegetable 32.56%
    Mustard 29.55%
    Cabbage 28.99%
    Sulfur 27.4%
    Horseradish 25.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.51 (neutral)

    Molecular weight
    88.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    92°C

    Flash point

    • 2.62 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 10152-77-9
    • 1-methylsulfanylprop-1-ene
    • 1-(Methylthio)-1-propene
    • 1-Propene, 1-(methylthio)-
    • DTXSID20864227
    • Methyl 1-propenyl sulphide
    • methylthiopropene
    • 1-(METHYLSULFANYL)PROP-1-ENE
    • DTXCID50812771
    • FM63391
    • NS00126937

  • Applications

    1-(Methylthio)-1-propene (CAS 10152-77-9) is an organosulfur vinyl compound primarily used as an intermediate in organic synthesis to construct sulfur-containing molecules. It serves as a building block for polymers and plastics, potentially acting as a monomer or reactive handle to introduce sulfur functionality into polymer chains. In coatings and inks, it may be used as a reactive component to impart thioether functionality into formulations. In fragrance applications, it can be evaluated as a precursor or intermediate for sulfur-containing fragrance compounds. Additional industrial uses include serving as a general synthesis intermediate in manufacturing processes, subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2736.27
    methanol 2054.23
    isopropanol 1685.68
    water 0.94
    ethyl acetate 2284.86
    n-propanol 2049.01
    acetone 3083.43
    n-butanol 2180.59
    acetonitrile 2008.95
    DMF 1465.98
    toluene 1613.83
    isobutanol 1231.74
    1,4-dioxane 4047.65
    methyl acetate 1627.43
    THF 5929.83
    2-butanone 2330.03
    n-pentanol 1252.4
    sec-butanol 1578.55
    n-hexane 1090.06
    ethylene glycol 226.7
    NMP 2018.51
    cyclohexane 2349.95
    DMSO 2127.62
    n-butyl acetate 3887.87
    n-octanol 718.07
    chloroform 3937.39
    n-propyl acetate 1217.27
    acetic acid 1542.86
    dichloromethane 3279.27
    cyclohexanone 3975.95
    propylene glycol 318.09
    isopropyl acetate 1046.99
    DMAc 887.63
    2-ethoxyethanol 1053.42
    isopentanol 1295.71
    n-heptane 1854.0
    ethyl formate 1204.57
    1,2-dichloroethane 2071.09
    n-hexanol 2459.56
    2-methoxyethanol 1748.37
    isobutyl acetate 640.04
    tetrachloromethane 1391.22
    n-pentyl acetate 1136.89
    transcutol 2965.23
    n-heptanol 820.55
    ethylbenzene 468.24
    MIBK 850.95
    2-propoxyethanol 2325.15
    tert-butanol 1607.41
    MTBE 1840.13
    2-butoxyethanol 957.85
    propionic acid 1195.13
    o-xylene 636.59
    formic acid 330.24
    diethyl ether 3957.81
    m-xylene 698.93
    p-xylene 552.02
    chlorobenzene 1516.1
    dimethyl carbonate 297.88
    n-octane 407.55
    formamide 476.78
    cyclopentanone 3508.45
    2-pentanone 2252.7
    anisole 781.7
    cyclopentyl methyl ether 2997.1
    gamma-butyrolactone 2650.34
    1-methoxy-2-propanol 1239.09
    pyridine 2945.1
    3-pentanone 1548.58
    furfural 1861.4
    n-dodecane 168.19
    diethylene glycol 945.81
    diisopropyl ether 837.9
    tert-amyl alcohol 1330.67
    acetylacetone 1430.33
    n-hexadecane 189.08
    acetophenone 545.63
    methyl propionate 1219.19
    isopentyl acetate 2024.41
    trichloroethylene 2981.65
    n-nonanol 592.02
    cyclohexanol 2243.8
    benzyl alcohol 525.18
    2-ethylhexanol 1555.78
    isooctanol 597.18
    dipropyl ether 2998.02
    1,2-dichlorobenzene 926.54
    ethyl lactate 270.38
    propylene carbonate 1236.37
    n-methylformamide 979.67
    2-pentanol 1440.45
    n-pentane 1342.07
    1-propoxy-2-propanol 2014.06
    1-methoxy-2-propyl acetate 1422.72
    2-(2-methoxypropoxy) propanol 546.6
    mesitylene 405.99
    ε-caprolactone 2544.0
    p-cymene 563.59
    epichlorohydrin 2530.88
    1,1,1-trichloroethane 2461.88
    2-aminoethanol 541.7
    morpholine-4-carbaldehyde 1923.39
    sulfolane 2198.5
    2,2,4-trimethylpentane 284.97
    2-methyltetrahydrofuran 4848.2
    n-hexyl acetate 1111.69
    isooctane 256.42
    2-(2-butoxyethoxy)ethanol 943.58
    sec-butyl acetate 672.72
    tert-butyl acetate 1005.57
    decalin 392.45
    glycerin 347.4
    diglyme 1755.7
    acrylic acid 798.31
    isopropyl myristate 429.17
    n-butyric acid 2077.56
    acetyl acetate 991.83
    di(2-ethylhexyl) phthalate 281.17
    ethyl propionate 793.81
    nitromethane 1806.11
    1,2-diethoxyethane 2646.05
    benzonitrile 993.27
    trioctyl phosphate 248.3
    1-bromopropane 2589.51
    gamma-valerolactone 3076.95
    n-decanol 434.77
    triethyl phosphate 379.08
    4-methyl-2-pentanol 553.94
    propionitrile 1586.61
    vinylene carbonate 1079.31
    1,1,2-trichlorotrifluoroethane 1161.64
    DMS 501.74
    cumene 260.16
    2-octanol 556.57
    2-hexanone 1336.39
    octyl acetate 545.58
    limonene 1321.59
    1,2-dimethoxyethane 1936.16
    ethyl orthosilicate 440.19
    tributyl phosphate 324.7
    diacetone alcohol 841.06
    N,N-dimethylaniline 412.53
    acrylonitrile 1259.76
    aniline 1266.88
    1,3-propanediol 951.81
    bromobenzene 1637.87
    dibromomethane 2982.73
    1,1,2,2-tetrachloroethane 2235.08
    2-methyl-cyclohexyl acetate 829.87
    tetrabutyl urea 412.8
    diisobutyl methanol 756.61
    2-phenylethanol 890.4
    styrene 699.96
    dioctyl adipate 456.73
    dimethyl sulfate 358.97
    ethyl butyrate 1754.84
    methyl lactate 335.14
    butyl lactate 538.45
    diethyl carbonate 738.38
    propanediol butyl ether 565.69
    triethyl orthoformate 989.41
    p-tert-butyltoluene 510.01
    methyl 4-tert-butylbenzoate 447.12
    morpholine 4227.95
    tert-butylamine 1280.15
    n-dodecanol 344.68
    dimethoxymethane 1317.76
    ethylene carbonate 1085.39
    cyrene 467.93
    2-ethoxyethyl acetate 1134.03
    2-ethylhexyl acetate 1794.17
    1,2,4-trichlorobenzene 995.65
    4-methylpyridine 2496.02
    dibutyl ether 1564.09
    2,6-dimethyl-4-heptanol 756.61
    DEF 1712.09
    dimethyl isosorbide 1071.52
    tetrachloroethylene 1776.2
    eugenol 427.86
    triacetin 568.25
    span 80 664.48
    1,4-butanediol 350.11
    1,1-dichloroethane 2475.72
    2-methyl-1-pentanol 860.89
    methyl formate 698.06
    2-methyl-1-butanol 1317.61
    n-decane 323.29
    butyronitrile 2303.77
    3,7-dimethyl-1-octanol 663.96
    1-chlorooctane 723.68
    1-chlorotetradecane 274.4
    n-nonane 404.27
    undecane 219.78
    tert-butylcyclohexane 326.52
    cyclooctane 705.55
    cyclopentanol 1971.46
    tetrahydropyran 6092.83
    tert-amyl methyl ether 1347.9
    2,5,8-trioxanonane 1058.82
    1-hexene 1871.68
    2-isopropoxyethanol 696.17
    2,2,2-trifluoroethanol 334.45
    methyl butyrate 1127.26

    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

Botanical

Name CAS Botanical Proportion
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.03%