S-propyl thioacetate

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  • Identifiers

    CAS number
    2307-10-0

    Molecular formula
    C5H10OS

    SMILES
    CCCSC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 86.07%
    Green 73.63%
    Vegetable 70.46%
    Onion 63.06%
    Tropical 61.26%
    Garlic 57.01%
    Fruity 54.53%
    Alliaceous 54.46%
    Cheesy 53.33%
    Meaty 49.04%

     

    Flavor
    Sulfurous 65.99%
    Onion 62.07%
    Garlic 60.05%
    Green 55.89%
    Sulfury 51.89%
    Vegetable 49.99%
    Tomato 47.21%
    Cabbage 40.6%
    Potato 39.0%
    Cheese 37.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.93 (neutral)

    Molecular weight
    118.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 137.00 to 139.00 °C. @ 760.00 mm Hg

    Flash point

    • 43.43 ˚C est.

    Solubility expt.

    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • S-Propyl thioacetate
    • 2307-10-0
    • S-Propyl ethanethioate
    • S-N-PROPYL THIOACETATE
    • Propyl thioacetate
    • Ethanethioic acid, S-propyl ester
    • Propyl thiolacetate
    • S-N-Propylthioacetate
    • Acetic acid, thio-, S-propyl ester
    • FEMA No. 3385
    • 1-(propylsulfanyl)ethan-1-one
    • UNII-Y7284NZ6EP
    • N-PROPYL THIO ACETATE
    • Y7284NZ6EP
    • EINECS 218-984-7
    • FEMA 3385
    • PROPYL THIOACETATE [FHFI]
    • DTXSID30177638
    • Thioacetic acid S-n-propyl ester
    • MFCD00039937
    • S-Propyl thioacetic acid
    • S-Propyl ethanethioate #
    • SCHEMBL1532586
    • Thioacetic Acid S-Propyl Ester
    • thio-acetic acid S-propyl ester
    • 1-(Propylsulphanyl)ethan-1-one
    • DTXCID90100129
    • CHEBI:173442
    • S-Propyl ethanethioate, AldrichCPR
    • AKOS006228580
    • ETHANETHIOIC ACID S-PROPYL ESTER
    • LS-13068
    • CS-0197063
    • NS00021884
    • P1716
    • D92148
    • A816553
    • Q27294326

  • Applications

    S-propyl thioacetate (CAS 2307-10-0) is primarily used as an intermediate and reagent in organic synthesis for the preparation of sulfur-containing compounds in pharmaceutical, agrochemical, and fine-chemical manufacturing. In fragrance and flavor chemistry, it may serve as a sulfur-containing odorant or a precursor to other aroma compounds, contributing characteristic notes. It can act as a precursor for thioester derivatives and other sulfur-containing materials in research and development work related to polymers, coatings, and materials science. The compound is typically handled in process development and scale-up as a reactive thioester, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 934.25
    methanol 1226.28
    isopropanol 876.16
    water 7.43
    ethyl acetate 532.14
    n-propanol 794.47
    acetone 939.02
    n-butanol 707.57
    acetonitrile 743.08
    DMF 1432.35
    toluene 410.93
    isobutanol 592.8
    1,4-dioxane 1049.14
    methyl acetate 592.34
    THF 1281.82
    2-butanone 762.72
    n-pentanol 468.89
    sec-butanol 748.37
    n-hexane 123.99
    ethylene glycol 302.56
    NMP 1262.88
    cyclohexane 143.96
    DMSO 1178.76
    n-butyl acetate 461.06
    n-octanol 381.15
    chloroform 1664.55
    n-propyl acetate 305.16
    acetic acid 730.46
    dichloromethane 1198.74
    cyclohexanone 1109.72
    propylene glycol 424.31
    isopropyl acetate 349.55
    DMAc 910.15
    2-ethoxyethanol 588.32
    isopentanol 514.79
    n-heptane 85.59
    ethyl formate 372.24
    1,2-dichloroethane 665.22
    n-hexanol 671.18
    2-methoxyethanol 1071.24
    isobutyl acetate 237.94
    tetrachloromethane 366.29
    n-pentyl acetate 366.39
    transcutol 1390.35
    n-heptanol 332.31
    ethylbenzene 230.2
    MIBK 388.08
    2-propoxyethanol 942.62
    tert-butanol 871.85
    MTBE 602.76
    2-butoxyethanol 505.41
    propionic acid 702.15
    o-xylene 295.46
    formic acid 255.71
    diethyl ether 545.68
    m-xylene 315.5
    p-xylene 300.1
    chlorobenzene 574.42
    dimethyl carbonate 177.49
    n-octane 46.94
    formamide 257.54
    cyclopentanone 1226.72
    2-pentanone 620.09
    anisole 444.09
    cyclopentyl methyl ether 662.56
    gamma-butyrolactone 1127.53
    1-methoxy-2-propanol 910.25
    pyridine 866.66
    3-pentanone 451.89
    furfural 1072.07
    n-dodecane 41.69
    diethylene glycol 700.99
    diisopropyl ether 178.36
    tert-amyl alcohol 711.17
    acetylacetone 669.16
    n-hexadecane 47.08
    acetophenone 419.0
    methyl propionate 435.5
    isopentyl acetate 414.67
    trichloroethylene 1356.31
    n-nonanol 306.13
    cyclohexanol 713.86
    benzyl alcohol 410.99
    2-ethylhexanol 357.85
    isooctanol 252.11
    dipropyl ether 292.22
    1,2-dichlorobenzene 493.63
    ethyl lactate 224.9
    propylene carbonate 611.74
    n-methylformamide 648.11
    2-pentanol 497.14
    n-pentane 105.03
    1-propoxy-2-propanol 670.78
    1-methoxy-2-propyl acetate 458.43
    2-(2-methoxypropoxy) propanol 439.11
    mesitylene 208.37
    ε-caprolactone 846.3
    p-cymene 168.75
    epichlorohydrin 922.43
    1,1,1-trichloroethane 866.8
    2-aminoethanol 540.97
    morpholine-4-carbaldehyde 1210.43
    sulfolane 1428.97
    2,2,4-trimethylpentane 63.1
    2-methyltetrahydrofuran 1023.23
    n-hexyl acetate 561.72
    isooctane 49.2
    2-(2-butoxyethoxy)ethanol 579.85
    sec-butyl acetate 254.53
    tert-butyl acetate 414.39
    decalin 88.18
    glycerin 535.35
    diglyme 905.68
    acrylic acid 611.47
    isopropyl myristate 218.23
    n-butyric acid 723.88
    acetyl acetate 341.79
    di(2-ethylhexyl) phthalate 202.96
    ethyl propionate 281.97
    nitromethane 989.41
    1,2-diethoxyethane 507.62
    benzonitrile 623.6
    trioctyl phosphate 159.83
    1-bromopropane 552.45
    gamma-valerolactone 1359.76
    n-decanol 223.84
    triethyl phosphate 162.87
    4-methyl-2-pentanol 269.86
    propionitrile 620.86
    vinylene carbonate 563.24
    1,1,2-trichlorotrifluoroethane 795.34
    DMS 374.29
    cumene 166.64
    2-octanol 283.66
    2-hexanone 441.28
    octyl acetate 271.22
    limonene 272.55
    1,2-dimethoxyethane 799.66
    ethyl orthosilicate 164.2
    tributyl phosphate 188.74
    diacetone alcohol 557.42
    N,N-dimethylaniline 311.98
    acrylonitrile 746.42
    aniline 507.72
    1,3-propanediol 673.24
    bromobenzene 582.67
    dibromomethane 872.85
    1,1,2,2-tetrachloroethane 1114.82
    2-methyl-cyclohexyl acetate 273.99
    tetrabutyl urea 245.38
    diisobutyl methanol 210.8
    2-phenylethanol 446.23
    styrene 298.72
    dioctyl adipate 270.4
    dimethyl sulfate 351.82
    ethyl butyrate 279.78
    methyl lactate 335.9
    butyl lactate 335.54
    diethyl carbonate 192.15
    propanediol butyl ether 608.38
    triethyl orthoformate 213.39
    p-tert-butyltoluene 177.07
    methyl 4-tert-butylbenzoate 388.86
    morpholine 1156.33
    tert-butylamine 529.26
    n-dodecanol 172.27
    dimethoxymethane 554.17
    ethylene carbonate 432.21
    cyrene 378.25
    2-ethoxyethyl acetate 423.99
    2-ethylhexyl acetate 324.73
    1,2,4-trichlorobenzene 596.05
    4-methylpyridine 935.29
    dibutyl ether 339.34
    2,6-dimethyl-4-heptanol 210.8
    DEF 694.78
    dimethyl isosorbide 597.28
    tetrachloroethylene 744.69
    eugenol 424.05
    triacetin 453.31
    span 80 469.39
    1,4-butanediol 312.26
    1,1-dichloroethane 918.7
    2-methyl-1-pentanol 379.76
    methyl formate 438.8
    2-methyl-1-butanol 531.87
    n-decane 69.28
    butyronitrile 613.79
    3,7-dimethyl-1-octanol 323.43
    1-chlorooctane 249.44
    1-chlorotetradecane 103.66
    n-nonane 72.89
    undecane 52.0
    tert-butylcyclohexane 93.99
    cyclooctane 56.97
    cyclopentanol 808.16
    tetrahydropyran 972.95
    tert-amyl methyl ether 445.96
    2,5,8-trioxanonane 616.6
    1-hexene 349.89
    2-isopropoxyethanol 462.29
    2,2,2-trifluoroethanol 250.56
    methyl butyrate 390.37

    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