3-(Ethylthio)-1-butanol

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  • Identifiers

    CAS number
    117013-33-9

    Molecular formula
    C6H14OS

    SMILES
    CCSC(C)CCO

  • Odor profile

    Fragrance
    Sulfurous 72.16%
    Meaty 66.76%
    Roasted 51.49%
    Onion 50.66%
    Savory 49.54%
    Tropical 41.85%
    Vegetable 41.28%
    Coffee 40.4%
    Nutty 40.04%
    Alliaceous 39.44%

     

    Flavor
    Sulfurous 66.48%
    Onion 52.6%
    Green 44.38%
    Vegetable 42.4%
    Sulfury 40.65%
    Tropical 40.0%
    Meaty 34.97%
    Garlic 31.88%
    Tomato 29.18%
    Metallic 27.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.78 (neutral)

    Molecular weight
    134.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 79.00 to 81.00 °C. @ 1.00 mm Hg

    Flash point

    • 85.13 ˚C est.

    Solubility expt.

    • Insoluble in water; slightly soluble in heptane and triacetin
    • Slightly soluble (in ethanol)

  • Synonyms

    • 3-(Ethylthio)-1-butanol
    • (+/-)-3-(Ethylthio)butanol
    • 117013-33-9
    • FEMA No. 4282
    • 1-Butanol, 3-(ethylthio)-
    • 3-(Ethylthio)butanol, (+/-)-
    • UNII-408AF93G1U
    • 408AF93G1U
    • 3-(ETHYLTHIO)BUTANOL
    • (+/-)-3-(Ethylthio)butanol [FIFH]
    • 3-(ETHYLSULFANYL)BUTAN-1-OL
    • DTXSID90905116
    • (+/-)-3-(ETHYLTHIO)BUTANOL [FHFI]
    • (+/-)-3-(Ethylthio)butanol (FIFH)
    • 3-(ethyl thio) butanol
    • 3-ethylsulfanylbutan-1-ol
    • 3-ethylsulanylbutan-1-ol
    • SCHEMBL1149007
    • CHEBI:193633
    • RNFXBUGJWZOUJT-UHFFFAOYSA-N
    • DTXCID101334219
    • AKOS014753243
    • Q27258303

  • Applications

    3-(Ethylthio)-1-butanol, CAS 117013-33-9, is used as an intermediate in the synthesis of fragrance ingredients, enabling the construction of odor-active molecules. It can be used as a processing aid or solvent in cosmetics and personal care formulations, particularly in aroma-containing products. It may serve as a solvent or formulation intermediate in household cleaning products. In coatings and inks, it can act as a solvent or specialty additive to support formulation. It is also a potential precursor or intermediate for polymer or plastics synthesis, enabling routes to specialty materials. Uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3192.48
    methanol 2054.1
    isopropanol 2386.34
    water 2.15
    ethyl acetate 1072.99
    n-propanol 2281.73
    acetone 2128.64
    n-butanol 2042.17
    acetonitrile 1190.53
    DMF 1378.14
    toluene 313.37
    isobutanol 1457.06
    1,4-dioxane 2558.99
    methyl acetate 858.24
    THF 4381.99
    2-butanone 1262.77
    n-pentanol 927.68
    sec-butanol 1501.12
    n-hexane 66.87
    ethylene glycol 429.3
    NMP 1283.93
    cyclohexane 256.69
    DMSO 2743.97
    n-butyl acetate 1312.29
    n-octanol 452.8
    chloroform 1846.25
    n-propyl acetate 613.13
    acetic acid 1607.74
    dichloromethane 1767.52
    cyclohexanone 2603.45
    propylene glycol 673.25
    isopropyl acetate 566.29
    DMAc 533.21
    2-ethoxyethanol 933.93
    isopentanol 1267.55
    n-heptane 193.17
    ethyl formate 891.24
    1,2-dichloroethane 1024.2
    n-hexanol 1529.28
    2-methoxyethanol 2018.62
    isobutyl acetate 343.46
    tetrachloromethane 401.56
    n-pentyl acetate 533.84
    transcutol 2029.53
    n-heptanol 522.41
    ethylbenzene 120.09
    MIBK 518.6
    2-propoxyethanol 1549.26
    tert-butanol 2041.75
    MTBE 933.3
    2-butoxyethanol 734.46
    propionic acid 1221.09
    o-xylene 190.07
    formic acid 397.93
    diethyl ether 1042.06
    m-xylene 220.2
    p-xylene 162.87
    chlorobenzene 533.04
    dimethyl carbonate 161.71
    n-octane 48.13
    formamide 500.82
    cyclopentanone 2753.78
    2-pentanone 1197.19
    anisole 318.8
    cyclopentyl methyl ether 1373.4
    gamma-butyrolactone 2463.14
    1-methoxy-2-propanol 1308.5
    pyridine 1324.51
    3-pentanone 591.95
    furfural 1492.78
    n-dodecane 32.54
    diethylene glycol 939.33
    diisopropyl ether 249.69
    tert-amyl alcohol 1149.7
    acetylacetone 926.96
    n-hexadecane 37.61
    acetophenone 295.73
    methyl propionate 627.48
    isopentyl acetate 879.68
    trichloroethylene 1751.57
    n-nonanol 359.16
    cyclohexanol 1609.42
    benzyl alcohol 347.21
    2-ethylhexanol 719.29
    isooctanol 368.37
    dipropyl ether 876.66
    1,2-dichlorobenzene 411.75
    ethyl lactate 224.13
    propylene carbonate 1075.07
    n-methylformamide 1022.63
    2-pentanol 1029.1
    n-pentane 108.09
    1-propoxy-2-propanol 1254.83
    1-methoxy-2-propyl acetate 757.95
    2-(2-methoxypropoxy) propanol 416.02
    mesitylene 145.23
    ε-caprolactone 1713.34
    p-cymene 193.16
    epichlorohydrin 2070.9
    1,1,1-trichloroethane 1041.75
    2-aminoethanol 927.85
    morpholine-4-carbaldehyde 1438.21
    sulfolane 2297.44
    2,2,4-trimethylpentane 55.28
    2-methyltetrahydrofuran 2874.86
    n-hexyl acetate 648.96
    isooctane 50.75
    2-(2-butoxyethoxy)ethanol 694.64
    sec-butyl acetate 323.96
    tert-butyl acetate 572.92
    decalin 61.2
    glycerin 674.28
    diglyme 1297.97
    acrylic acid 789.12
    isopropyl myristate 230.18
    n-butyric acid 2027.03
    acetyl acetate 499.25
    di(2-ethylhexyl) phthalate 207.76
    ethyl propionate 376.54
    nitromethane 1816.64
    1,2-diethoxyethane 883.41
    benzonitrile 619.28
    trioctyl phosphate 200.11
    1-bromopropane 715.02
    gamma-valerolactone 2918.99
    n-decanol 251.22
    triethyl phosphate 203.45
    4-methyl-2-pentanol 417.18
    propionitrile 1003.06
    vinylene carbonate 884.48
    1,1,2-trichlorotrifluoroethane 1116.48
    DMS 288.5
    cumene 89.85
    2-octanol 335.63
    2-hexanone 667.98
    octyl acetate 303.89
    limonene 410.06
    1,2-dimethoxyethane 1298.86
    ethyl orthosilicate 213.83
    tributyl phosphate 222.78
    diacetone alcohol 758.06
    N,N-dimethylaniline 172.75
    acrylonitrile 927.29
    aniline 557.76
    1,3-propanediol 1512.76
    bromobenzene 467.02
    dibromomethane 1176.68
    1,1,2,2-tetrachloroethane 1255.54
    2-methyl-cyclohexyl acetate 425.99
    tetrabutyl urea 283.27
    diisobutyl methanol 366.57
    2-phenylethanol 480.47
    styrene 162.58
    dioctyl adipate 317.97
    dimethyl sulfate 266.99
    ethyl butyrate 683.23
    methyl lactate 308.27
    butyl lactate 424.87
    diethyl carbonate 341.11
    propanediol butyl ether 631.62
    triethyl orthoformate 443.43
    p-tert-butyltoluene 182.73
    methyl 4-tert-butylbenzoate 334.87
    morpholine 3056.67
    tert-butylamine 1115.65
    n-dodecanol 185.55
    dimethoxymethane 744.65
    ethylene carbonate 841.99
    cyrene 393.61
    2-ethoxyethyl acetate 581.08
    2-ethylhexyl acetate 658.1
    1,2,4-trichlorobenzene 492.57
    4-methylpyridine 1087.46
    dibutyl ether 478.08
    2,6-dimethyl-4-heptanol 366.57
    DEF 888.65
    dimethyl isosorbide 782.41
    tetrachloroethylene 845.91
    eugenol 341.01
    triacetin 389.4
    span 80 536.2
    1,4-butanediol 437.25
    1,1-dichloroethane 1167.49
    2-methyl-1-pentanol 573.6
    methyl formate 656.62
    2-methyl-1-butanol 1122.2
    n-decane 61.97
    butyronitrile 1497.62
    3,7-dimethyl-1-octanol 392.43
    1-chlorooctane 245.25
    1-chlorotetradecane 86.93
    n-nonane 64.27
    undecane 43.24
    tert-butylcyclohexane 60.47
    cyclooctane 65.78
    cyclopentanol 1998.36
    tetrahydropyran 3163.32
    tert-amyl methyl ether 534.88
    2,5,8-trioxanonane 758.65
    1-hexene 264.72
    2-isopropoxyethanol 569.15
    2,2,2-trifluoroethanol 357.62
    methyl butyrate 624.55

    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