Propanethial S-oxide, (1Z)-

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  • Identifiers

    CAS number
    32157-29-2

    Molecular formula
    C3H6OS

    SMILES
    CCC=S=O

  • Odor profile

    Fragrance
    Pungent 71.48%
    Radish 49.59%
    Alliaceous 46.88%
    Garlic 40.21%
    Green 36.2%
    Onion 36.09%
    Sulfurous 33.79%
    Sharp 33.5%
    Vegetable 29.11%
    Cabbage 28.61%

     

    Flavor
    Pungent 69.49%
    Nutty 47.56%
    Fruity 47.28%
    Mustard 45.05%
    Green 43.99%
    Vegetable 39.76%
    Garlic 36.75%
    Sulfur 36.28%
    Almond 36.06%
    Fatty 33.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    8.07 (weak base)

    Molecular weight
    90.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    101°C

    Flash point

    • 16.69 ˚C est.

  • Synonyms

    • Propanethial S-oxide
    • 1-sulfinylpropane
    • Thiopropanal S-oxide
    • Z-Propanethial S-oxide
    • 32157-29-2
    • E-Propanethial S-oxide
    • Propanethial S-oxide Z-isomer
    • Propanethial S-oxide, Z-
    • Propanethial S-oxide E-isomer
    • Propanethial, S-oxide, (1Z)-
    • Syn-Propanethial-S-oxide
    • (z)-propanethial s-oxide
    • UNII-OI55X42ZZH
    • lachrymatory factor
    • OI55X42ZZH
    • Propanethial S-oxide, (1E)-
    • Propanethial, S-oxide, (1E)-
    • cis-propanethial S-oxide
    • syn-propanethial S-oxide
    • TLN93NUR7S
    • PROPANETHIAL S-OXIDE, (1Z)-
    • (1Z)-propanethial S-oxide
    • (Z)-propylidenesulfoniumolate
    • 70565-74-1
    • CHEBI:183657
    • Thial-1-Propene-1-thiol S-oxide
    • (Z)-(propylidenesulfaniumyl)oxidanide
    • (Z)-propylidene-lambda(4)-sulfanone
    • 74635-27-1
    • (Z)-propylidene-lambda(4)-sulfanyliumolate
    • UNII-TLN93NUR7S
    • UNII-94Z73U61UH
    • 1-sulfinyl-propane
    • thiopropanal-s-oxide
    • Thiopropanal sulfoxide
    • 1-sulfinylidenepropane
    • Propanethial, S-oxide
    • anti-propanethial S-oxide
    • (E)-propanethial S-oxide
    • trans-propanethial S-oxide
    • (1E)-propanethial S-oxide
    • (E)-propylidenesulfoniumolate
    • CHEBI:8475
    • DTXSID50954029
    • BAZSXBOAXJLRNH-UHFFFAOYSA-N
    • CHEBI:183658
    • 94Z73U61UH
    • PROPANETHIAL S-OXIDE Z-FORM
    • (E)-propylidene-lambda(4)-sulfanone
    • (E)-(propylidenesulfaniumyl)oxidanide
    • PROPANETHIAL S-OXIDE Z-FORM [MI]
    • (E)-propylidene-lambda(4)-sulfanyliumolate
    • NS00093831
    • C08389
    • Q3044968
    • InChI=1/C3H6OS/c1-2-3-5-4/h3H,2H2,1H

  • Applications

    Propanethial S-oxide, (1Z)-, CAS 32157-29-2, is primarily encountered as the lachrymatory volatile released when Allium vegetables such as onions are cut. In practical use, it is studied in research and development as a model irritant for sensory irritation and tear response experiments, and in flavor and aroma science to understand the contribution of sulfur-containing volatiles to onion and garlic aromas. It is also investigated in agricultural and food-processing contexts to correlate processing and handling with the release of onion volatiles. In specialized laboratory settings, it may be used as a reactive intermediate in organic synthesis under strict controls. Applications in safety testing and olfactometry may employ it as a benchmark irritant compound, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 218.76
    methanol 235.15
    isopropanol 160.85
    water 3.49
    ethyl acetate 295.73
    n-propanol 179.71
    acetone 531.92
    n-butanol 178.09
    acetonitrile 365.86
    DMF 857.57
    toluene 107.21
    isobutanol 127.09
    1,4-dioxane 474.33
    methyl acetate 355.16
    THF 594.98
    2-butanone 378.61
    n-pentanol 133.71
    sec-butanol 167.89
    n-hexane 35.32
    ethylene glycol 89.23
    NMP 1306.9
    cyclohexane 90.98
    DMSO 947.78
    n-butyl acetate 351.36
    n-octanol 173.08
    chloroform 780.82
    n-propyl acetate 237.15
    acetic acid 920.28
    dichloromethane 640.99
    cyclohexanone 849.47
    propylene glycol 108.49
    isopropyl acetate 165.9
    DMAc 486.01
    2-ethoxyethanol 189.62
    isopentanol 133.19
    n-heptane 37.32
    ethyl formate 256.48
    1,2-dichloroethane 444.92
    n-hexanol 188.21
    2-methoxyethanol 334.36
    isobutyl acetate 123.65
    tetrachloromethane 107.61
    n-pentyl acetate 260.04
    transcutol 1109.35
    n-heptanol 116.39
    ethylbenzene 81.79
    MIBK 158.44
    2-propoxyethanol 277.86
    tert-butanol 187.17
    MTBE 134.54
    2-butoxyethanol 191.94
    propionic acid 486.36
    o-xylene 92.64
    formic acid 265.72
    diethyl ether 153.0
    m-xylene 86.98
    p-xylene 115.78
    chlorobenzene 415.52
    dimethyl carbonate 116.89
    n-octane 21.8
    formamide 373.96
    cyclopentanone 880.58
    2-pentanone 311.26
    anisole 197.55
    cyclopentyl methyl ether 277.12
    gamma-butyrolactone 1086.88
    1-methoxy-2-propanol 273.18
    pyridine 634.4
    3-pentanone 225.74
    furfural 1089.24
    n-dodecane 20.37
    diethylene glycol 233.32
    diisopropyl ether 57.07
    tert-amyl alcohol 184.91
    acetylacetone 413.39
    n-hexadecane 23.44
    acetophenone 283.13
    methyl propionate 251.09
    isopentyl acetate 263.79
    trichloroethylene 1182.26
    n-nonanol 148.6
    cyclohexanol 270.13
    benzyl alcohol 182.21
    2-ethylhexanol 144.28
    isooctanol 98.73
    dipropyl ether 133.48
    1,2-dichlorobenzene 421.09
    ethyl lactate 133.36
    propylene carbonate 584.52
    n-methylformamide 446.14
    2-pentanol 133.23
    n-pentane 29.0
    1-propoxy-2-propanol 255.69
    1-methoxy-2-propyl acetate 285.0
    2-(2-methoxypropoxy) propanol 277.11
    mesitylene 70.03
    ε-caprolactone 732.1
    p-cymene 81.05
    epichlorohydrin 758.16
    1,1,1-trichloroethane 434.65
    2-aminoethanol 135.43
    morpholine-4-carbaldehyde 920.48
    sulfolane 1461.92
    2,2,4-trimethylpentane 19.06
    2-methyltetrahydrofuran 493.29
    n-hexyl acetate 399.98
    isooctane 14.95
    2-(2-butoxyethoxy)ethanol 386.97
    sec-butyl acetate 134.06
    tert-butyl acetate 192.15
    decalin 40.63
    glycerin 176.83
    diglyme 581.88
    acrylic acid 609.94
    isopropyl myristate 143.77
    n-butyric acid 472.98
    acetyl acetate 252.37
    di(2-ethylhexyl) phthalate 141.25
    ethyl propionate 180.58
    nitromethane 1239.16
    1,2-diethoxyethane 302.86
    benzonitrile 412.34
    trioctyl phosphate 109.74
    1-bromopropane 202.18
    gamma-valerolactone 1048.34
    n-decanol 112.19
    triethyl phosphate 113.72
    4-methyl-2-pentanol 76.32
    propionitrile 239.19
    vinylene carbonate 606.93
    1,1,2-trichlorotrifluoroethane 610.09
    DMS 294.85
    cumene 64.2
    2-octanol 107.52
    2-hexanone 245.6
    octyl acetate 198.59
    limonene 132.37
    1,2-dimethoxyethane 323.17
    ethyl orthosilicate 102.08
    tributyl phosphate 148.99
    diacetone alcohol 267.79
    N,N-dimethylaniline 137.84
    acrylonitrile 435.11
    aniline 216.61
    1,3-propanediol 202.77
    bromobenzene 379.69
    dibromomethane 421.56
    1,1,2,2-tetrachloroethane 797.37
    2-methyl-cyclohexyl acetate 193.67
    tetrabutyl urea 206.09
    diisobutyl methanol 94.2
    2-phenylethanol 222.83
    styrene 128.66
    dioctyl adipate 223.71
    dimethyl sulfate 280.98
    ethyl butyrate 219.94
    methyl lactate 185.92
    butyl lactate 235.2
    diethyl carbonate 150.9
    propanediol butyl ether 295.0
    triethyl orthoformate 150.65
    p-tert-butyltoluene 77.07
    methyl 4-tert-butylbenzoate 257.39
    morpholine 524.41
    tert-butylamine 116.74
    n-dodecanol 87.59
    dimethoxymethane 233.45
    ethylene carbonate 403.47
    cyrene 251.9
    2-ethoxyethyl acetate 309.86
    2-ethylhexyl acetate 214.48
    1,2,4-trichlorobenzene 517.13
    4-methylpyridine 519.85
    dibutyl ether 188.48
    2,6-dimethyl-4-heptanol 94.2
    DEF 425.72
    dimethyl isosorbide 436.98
    tetrachloroethylene 498.99
    eugenol 290.99
    triacetin 369.41
    span 80 309.78
    1,4-butanediol 89.61
    1,1-dichloroethane 395.01
    2-methyl-1-pentanol 112.23
    methyl formate 338.79
    2-methyl-1-butanol 130.05
    n-decane 31.51
    butyronitrile 244.51
    3,7-dimethyl-1-octanol 151.61
    1-chlorooctane 125.26
    1-chlorotetradecane 53.75
    n-nonane 31.07
    undecane 24.84
    tert-butylcyclohexane 33.95
    cyclooctane 25.66
    cyclopentanol 329.15
    tetrahydropyran 444.72
    tert-amyl methyl ether 124.83
    2,5,8-trioxanonane 441.99
    1-hexene 104.57
    2-isopropoxyethanol 142.27
    2,2,2-trifluoroethanol 288.26
    methyl butyrate 283.99

    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