Ethyl 2-sulfanylbutanoate

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  • Identifiers

    CAS number
    84040-14-2

    Molecular formula
    C6H12O2S

    SMILES
    CCC(C(=O)OCC)S

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 96.34%
    Tropical 78.51%
    Green 78.18%
    Sulfurous 61.18%
    Sweet 56.02%
    Pineapple 44.72%
    Onion 35.4%
    Black currant 34.49%
    Vegetable 34.08%
    Meaty 32.04%

     

    Flavor
    Fruity 69.1%
    Sulfury 28.34%
    Berry 28.07%
    Tropical 27.49%
    Grape 25.07%
    Cooked 24.91%
    Cheese 23.48%
    Odorless 23.32%
    Creamy 23.26%
    Roasted 23.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.85 (neutral)

    Molecular weight
    148.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    180°C

    Flash point

    • 54.46 ˚C est.

  • Synonyms

    • ethyl 2-sulfanylbutanoate
    • 84040-14-2
    • ethyl2-sulfanylbutanoate
    • SCHEMBL1141776
    • Diethyl 2,2\'-Thiodiglycolate
    • JDA04014
    • AKOS013907537
    • EN300-97533
    • 815-484-6

  • Applications

    Ethyl 2-sulfanylbutanoate is used primarily as an odorant and fragrance component and as an intermediate in fragrance chemistry. In perfumery and cosmetics, it can contribute sulfur-containing notes and is evaluated as a fragrance ingredient. It may also be incorporated into household products such as cleaners and air fresheners as an odorant. In industrial manufacturing, it serves as an intermediate for further chemical transformations related to fragrance synthesis. In coatings and inks, it can be used as a scent additive to impart or modify odor profiles (CAS 84040-14-2).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 886.06
    methanol 1286.78
    isopropanol 738.72
    water 10.83
    ethyl acetate 503.88
    n-propanol 657.41
    acetone 1213.2
    n-butanol 555.69
    acetonitrile 1159.52
    DMF 1764.83
    toluene 268.65
    isobutanol 481.18
    1,4-dioxane 1043.39
    methyl acetate 751.45
    THF 1069.16
    2-butanone 782.49
    n-pentanol 520.67
    sec-butanol 643.27
    n-hexane 78.68
    ethylene glycol 283.96
    NMP 1339.91
    cyclohexane 129.34
    DMSO 1535.44
    n-butyl acetate 455.29
    n-octanol 347.83
    chloroform 2185.99
    n-propyl acetate 460.99
    acetic acid 1216.75
    dichloromethane 2148.75
    cyclohexanone 1056.48
    propylene glycol 318.32
    isopropyl acetate 310.82
    DMAc 1150.07
    2-ethoxyethanol 684.44
    isopentanol 418.33
    n-heptane 53.02
    ethyl formate 543.37
    1,2-dichloroethane 1035.35
    n-hexanol 387.45
    2-methoxyethanol 987.69
    isobutyl acetate 269.75
    tetrachloromethane 305.46
    n-pentyl acetate 381.8
    transcutol 1147.04
    n-heptanol 253.26
    ethylbenzene 228.96
    MIBK 310.14
    2-propoxyethanol 575.71
    tert-butanol 697.0
    MTBE 453.87
    2-butoxyethanol 393.36
    propionic acid 699.34
    o-xylene 241.01
    formic acid 415.02
    diethyl ether 400.33
    m-xylene 204.29
    p-xylene 363.97
    chlorobenzene 600.55
    dimethyl carbonate 208.57
    n-octane 37.88
    formamide 560.21
    cyclopentanone 1207.05
    2-pentanone 529.55
    anisole 459.65
    cyclopentyl methyl ether 415.79
    gamma-butyrolactone 1300.51
    1-methoxy-2-propanol 630.49
    pyridine 1033.35
    3-pentanone 433.33
    furfural 1286.93
    n-dodecane 41.13
    diethylene glycol 512.12
    diisopropyl ether 136.16
    tert-amyl alcohol 591.28
    acetylacetone 619.47
    n-hexadecane 45.49
    acetophenone 529.0
    methyl propionate 438.5
    isopentyl acetate 354.93
    trichloroethylene 2159.37
    n-nonanol 276.68
    cyclohexanol 556.56
    benzyl alcohol 460.49
    2-ethylhexanol 253.34
    isooctanol 209.35
    dipropyl ether 228.35
    1,2-dichlorobenzene 579.84
    ethyl lactate 251.08
    propylene carbonate 689.95
    n-methylformamide 868.89
    2-pentanol 376.93
    n-pentane 74.67
    1-propoxy-2-propanol 408.69
    1-methoxy-2-propyl acetate 331.75
    2-(2-methoxypropoxy) propanol 364.22
    mesitylene 156.02
    ε-caprolactone 822.25
    p-cymene 155.48
    epichlorohydrin 1191.19
    1,1,1-trichloroethane 1000.44
    2-aminoethanol 420.4
    morpholine-4-carbaldehyde 1121.47
    sulfolane 1499.62
    2,2,4-trimethylpentane 49.19
    2-methyltetrahydrofuran 785.13
    n-hexyl acetate 566.22
    isooctane 34.59
    2-(2-butoxyethoxy)ethanol 494.4
    sec-butyl acetate 276.26
    tert-butyl acetate 344.38
    decalin 71.84
    glycerin 413.13
    diglyme 883.28
    acrylic acid 756.39
    isopropyl myristate 202.96
    n-butyric acid 675.1
    acetyl acetate 360.91
    di(2-ethylhexyl) phthalate 196.66
    ethyl propionate 346.96
    nitromethane 1785.57
    1,2-diethoxyethane 446.57
    benzonitrile 733.56
    trioctyl phosphate 160.52
    1-bromopropane 558.12
    gamma-valerolactone 1345.1
    n-decanol 200.79
    triethyl phosphate 176.71
    4-methyl-2-pentanol 198.36
    propionitrile 708.17
    vinylene carbonate 732.71
    1,1,2-trichlorotrifluoroethane 930.62
    DMS 377.75
    cumene 172.66
    2-octanol 246.19
    2-hexanone 511.27
    octyl acetate 265.77
    limonene 221.38
    1,2-dimethoxyethane 1072.8
    ethyl orthosilicate 159.27
    tributyl phosphate 187.81
    diacetone alcohol 400.84
    N,N-dimethylaniline 328.62
    acrylonitrile 1027.11
    aniline 391.26
    1,3-propanediol 571.39
    bromobenzene 633.13
    dibromomethane 1261.08
    1,1,2,2-tetrachloroethane 1504.19
    2-methyl-cyclohexyl acetate 282.92
    tetrabutyl urea 258.55
    diisobutyl methanol 147.73
    2-phenylethanol 359.82
    styrene 316.36
    dioctyl adipate 279.02
    dimethyl sulfate 388.79
    ethyl butyrate 332.11
    methyl lactate 282.04
    butyl lactate 291.87
    diethyl carbonate 242.31
    propanediol butyl ether 464.35
    triethyl orthoformate 214.71
    p-tert-butyltoluene 144.93
    methyl 4-tert-butylbenzoate 373.42
    morpholine 1023.93
    tert-butylamine 448.46
    n-dodecanol 153.36
    dimethoxymethane 579.43
    ethylene carbonate 538.52
    cyrene 401.28
    2-ethoxyethyl acetate 411.13
    2-ethylhexyl acetate 279.41
    1,2,4-trichlorobenzene 719.3
    4-methylpyridine 941.24
    dibutyl ether 312.86
    2,6-dimethyl-4-heptanol 147.73
    DEF 665.14
    dimethyl isosorbide 509.76
    tetrachloroethylene 992.79
    eugenol 409.83
    triacetin 472.2
    span 80 351.77
    1,4-butanediol 342.41
    1,1-dichloroethane 1105.86
    2-methyl-1-pentanol 405.23
    methyl formate 714.17
    2-methyl-1-butanol 419.69
    n-decane 63.62
    butyronitrile 666.29
    3,7-dimethyl-1-octanol 273.27
    1-chlorooctane 238.67
    1-chlorotetradecane 96.48
    n-nonane 62.96
    undecane 49.7
    tert-butylcyclohexane 67.62
    cyclooctane 38.02
    cyclopentanol 656.83
    tetrahydropyran 774.37
    tert-amyl methyl ether 333.24
    2,5,8-trioxanonane 600.45
    1-hexene 280.21
    2-isopropoxyethanol 432.88
    2,2,2-trifluoroethanol 352.18
    methyl butyrate 546.05

    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