1-Ethylsulfanylbutan-1-ol

  • Identifiers

    Molecular formula
    C6H14OS

    SMILES
    CCCC(O)SCC

  • Odor profile

    Fragrance
    Sulfurous 77.6%
    Meaty 70.21%
    Onion 59.3%
    Savory 52.79%
    Roasted 50.7%
    Garlic 44.19%
    Alliaceous 43.61%
    Vegetable 41.61%
    Coffee 40.69%
    Tropical 40.69%

     

    Flavor
    Sulfurous 69.33%
    Onion 57.45%
    Sulfury 45.9%
    Green 39.22%
    Garlic 38.45%
    Vegetable 38.41%
    Meaty 37.79%
    Tropical 36.3%
    Roasted 28.81%
    Cabbage 28.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.05 (neutral)

    Molecular weight
    134.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    189°C

    Flash point

    • 73.75 ˚C est.

  • Synonyms

    • SCHEMBL8586793
  • Applications

    1-Ethylsulfanylbutan-1-ol is primarily used as an organic synthesis intermediate and a fragrance-building block, with its thioether and secondary hydroxyl functionality enabling the formation of sulfur-containing derivatives for further chemical elaboration. In perfumery and cosmetics, it may serve as an odorant component or fragrance intermediate, contributing sulfur-containing notes to formulations. In industrial manufacturing, it is evaluated as a precursor for sulfur-containing compounds used in specialty chemicals and pharmaceutical development. In polymers and plastics, it can be employed as a reactive modifier or a precursor to introduce sulfur functionality into polymer chains. In coatings and inks, it may be used as a reactive modifier or intermediate to tailor resin properties and adhesion. In household cleaners, it may act as a solvent carrier or fragrance additive in formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3141.8
    methanol 3204.81
    isopropanol 2517.35
    water 2.36
    ethyl acetate 791.0
    n-propanol 2472.43
    acetone 1540.42
    n-butanol 2235.61
    acetonitrile 1294.83
    DMF 1387.02
    toluene 367.65
    isobutanol 1716.56
    1,4-dioxane 2274.44
    methyl acetate 744.56
    THF 3349.37
    2-butanone 1076.16
    n-pentanol 1375.6
    sec-butanol 1882.3
    n-hexane 309.3
    ethylene glycol 406.06
    NMP 1245.18
    cyclohexane 569.76
    DMSO 2183.95
    n-butyl acetate 1547.42
    n-octanol 853.38
    chloroform 2838.93
    n-propyl acetate 799.28
    acetic acid 1582.09
    dichloromethane 2117.81
    cyclohexanone 2195.7
    propylene glycol 695.0
    isopropyl acetate 501.76
    DMAc 641.39
    2-ethoxyethanol 1027.79
    isopentanol 1409.65
    n-heptane 453.31
    ethyl formate 838.76
    1,2-dichloroethane 1119.78
    n-hexanol 1938.9
    2-methoxyethanol 1682.71
    isobutyl acetate 502.89
    tetrachloromethane 547.49
    n-pentyl acetate 778.75
    transcutol 2048.9
    n-heptanol 859.89
    ethylbenzene 239.08
    MIBK 531.17
    2-propoxyethanol 1652.7
    tert-butanol 2124.94
    MTBE 1108.22
    2-butoxyethanol 975.17
    propionic acid 1293.52
    o-xylene 237.87
    formic acid 388.6
    diethyl ether 1107.6
    m-xylene 257.38
    p-xylene 321.85
    chlorobenzene 675.91
    dimethyl carbonate 152.32
    n-octane 145.51
    formamide 428.64
    cyclopentanone 2004.82
    2-pentanone 980.47
    anisole 471.61
    cyclopentyl methyl ether 1198.28
    gamma-butyrolactone 1853.18
    1-methoxy-2-propanol 1174.03
    pyridine 1418.56
    3-pentanone 536.61
    furfural 1463.17
    n-dodecane 91.56
    diethylene glycol 916.33
    diisopropyl ether 345.78
    tert-amyl alcohol 1439.59
    acetylacetone 659.31
    n-hexadecane 103.1
    acetophenone 451.62
    methyl propionate 500.38
    isopentyl acetate 1130.25
    trichloroethylene 1931.22
    n-nonanol 685.93
    cyclohexanol 1814.27
    benzyl alcohol 524.83
    2-ethylhexanol 1135.52
    isooctanol 649.55
    dipropyl ether 1158.06
    1,2-dichlorobenzene 580.59
    ethyl lactate 304.62
    propylene carbonate 1049.51
    n-methylformamide 897.58
    2-pentanol 1294.47
    n-pentane 307.36
    1-propoxy-2-propanol 1454.88
    1-methoxy-2-propyl acetate 678.78
    2-(2-methoxypropoxy) propanol 564.7
    mesitylene 188.63
    ε-caprolactone 1585.59
    p-cymene 300.32
    epichlorohydrin 1628.93
    1,1,1-trichloroethane 1126.11
    2-aminoethanol 928.2
    morpholine-4-carbaldehyde 1307.42
    sulfolane 2002.44
    2,2,4-trimethylpentane 124.4
    2-methyltetrahydrofuran 2326.16
    n-hexyl acetate 950.09
    isooctane 117.17
    2-(2-butoxyethoxy)ethanol 910.42
    sec-butyl acetate 449.56
    tert-butyl acetate 539.5
    decalin 160.24
    glycerin 671.18
    diglyme 1508.55
    acrylic acid 882.32
    isopropyl myristate 382.98
    n-butyric acid 1909.42
    acetyl acetate 388.09
    di(2-ethylhexyl) phthalate 311.58
    ethyl propionate 444.14
    nitromethane 1480.15
    1,2-diethoxyethane 1036.85
    benzonitrile 915.52
    trioctyl phosphate 305.29
    1-bromopropane 1017.89
    gamma-valerolactone 2162.88
    n-decanol 476.09
    triethyl phosphate 272.69
    4-methyl-2-pentanol 567.64
    propionitrile 1145.2
    vinylene carbonate 932.27
    1,1,2-trichlorotrifluoroethane 1081.24
    DMS 337.04
    cumene 188.43
    2-octanol 641.72
    2-hexanone 938.04
    octyl acetate 473.84
    limonene 582.81
    1,2-dimethoxyethane 1620.06
    ethyl orthosilicate 298.24
    tributyl phosphate 346.0
    diacetone alcohol 662.11
    N,N-dimethylaniline 306.05
    acrylonitrile 1094.21
    aniline 613.64
    1,3-propanediol 1372.12
    bromobenzene 650.14
    dibromomethane 1682.65
    1,1,2,2-tetrachloroethane 1552.6
    2-methyl-cyclohexyl acetate 618.43
    tetrabutyl urea 444.92
    diisobutyl methanol 564.23
    2-phenylethanol 646.56
    styrene 324.31
    dioctyl adipate 473.04
    dimethyl sulfate 250.27
    ethyl butyrate 846.26
    methyl lactate 305.82
    butyl lactate 594.12
    diethyl carbonate 442.79
    propanediol butyl ether 897.35
    triethyl orthoformate 574.24
    p-tert-butyltoluene 281.69
    methyl 4-tert-butylbenzoate 462.78
    morpholine 2601.17
    tert-butylamine 1498.63
    n-dodecanol 354.24
    dimethoxymethane 704.55
    ethylene carbonate 846.2
    cyrene 497.17
    2-ethoxyethyl acetate 634.5
    2-ethylhexyl acetate 871.27
    1,2,4-trichlorobenzene 652.67
    4-methylpyridine 1257.43
    dibutyl ether 914.44
    2,6-dimethyl-4-heptanol 564.23
    DEF 857.82
    dimethyl isosorbide 920.75
    tetrachloroethylene 1148.25
    eugenol 504.27
    triacetin 537.77
    span 80 768.63
    1,4-butanediol 571.77
    1,1-dichloroethane 1307.97
    2-methyl-1-pentanol 926.09
    methyl formate 576.61
    2-methyl-1-butanol 1353.89
    n-decane 172.72
    butyronitrile 1791.16
    3,7-dimethyl-1-octanol 687.1
    1-chlorooctane 498.16
    1-chlorotetradecane 192.34
    n-nonane 193.06
    undecane 119.44
    tert-butylcyclohexane 165.95
    cyclooctane 159.09
    cyclopentanol 1945.26
    tetrahydropyran 2903.07
    tert-amyl methyl ether 669.2
    2,5,8-trioxanonane 933.8
    1-hexene 821.04
    2-isopropoxyethanol 714.7
    2,2,2-trifluoroethanol 336.31
    methyl butyrate 799.67

    Scent© AI

1 of 4
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