1-(Ethylthio)ethanethiol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    31331-54-1

    Molecular formula
    C4H10S2

    SMILES
    CCSC(C)S

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 80.95%
    Meaty 74.72%
    Onion 66.51%
    Fruity 57.66%
    Roasted 56.88%
    Garlic 55.47%
    Alliaceous 54.17%
    Savory 52.93%
    Tropical 46.32%
    Burnt 43.65%

     

    Flavor
    Sulfurous 73.91%
    Onion 73.03%
    Garlic 58.67%
    Meaty 48.5%
    Sulfury 46.19%
    Alliaceous 40.16%
    Green 38.86%
    Cabbage 37.13%
    Gassy 29.98%
    Metallic 28.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.06 (weak base)

    Molecular weight
    122.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    156°C

    Flash point

    • 35.55 ˚C est.

  • Synonyms

    • 1-(Ethylthio)ethanethiol
    • 31331-54-1
    • RefChem:74686
    • 1-ethylsulfanylethanethiol
    • 1-(ethylsulfanyl)ethane-1-thiol
    • 1-ethylthioethane-thiol
    • SCHEMBL340369
    • SCHEMBL583431
    • DTXSID501313209
    • 31331-54-1

  • Applications

    1-(Ethylthio)ethanethiol (CAS 31331-54-1) is used as a sulfur-containing intermediate for the synthesis of thioether-containing compounds in pharmaceuticals and agrochemicals. In cosmetics and perfumery, it can serve as a fragrance ingredient or scent modifier. In polymer and coatings technology, it participates in thiol-ene reactions as a chain-transfer agent or crosslinker to form films and coatings. It also serves as a precursor for specialty polymers and plastics incorporating thioether linkages, enabling new material properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 963.64
    methanol 837.11
    isopropanol 595.54
    water 1.05
    ethyl acetate 750.45
    n-propanol 697.98
    acetone 1003.4
    n-butanol 757.99
    acetonitrile 551.08
    DMF 524.57
    toluene 389.98
    isobutanol 441.49
    1,4-dioxane 1315.74
    methyl acetate 556.16
    THF 2128.76
    2-butanone 792.75
    n-pentanol 453.19
    sec-butanol 558.42
    n-hexane 155.66
    ethylene glycol 119.24
    NMP 723.56
    cyclohexane 317.04
    DMSO 705.74
    n-butyl acetate 1085.68
    n-octanol 327.9
    chloroform 1222.4
    n-propyl acetate 469.46
    acetic acid 671.97
    dichloromethane 905.97
    cyclohexanone 1254.9
    propylene glycol 181.61
    isopropyl acetate 432.18
    DMAc 424.02
    2-ethoxyethanol 472.85
    isopentanol 503.51
    n-heptane 318.72
    ethyl formate 438.35
    1,2-dichloroethane 547.09
    n-hexanol 886.65
    2-methoxyethanol 775.14
    isobutyl acetate 302.45
    tetrachloromethane 380.79
    n-pentyl acetate 493.8
    transcutol 1358.61
    n-heptanol 367.72
    ethylbenzene 144.02
    MIBK 402.8
    2-propoxyethanol 929.55
    tert-butanol 694.26
    MTBE 683.92
    2-butoxyethanol 487.28
    propionic acid 437.52
    o-xylene 210.19
    formic acid 163.08
    diethyl ether 1004.95
    m-xylene 233.49
    p-xylene 187.47
    chlorobenzene 441.56
    dimethyl carbonate 142.12
    n-octane 83.14
    formamide 185.27
    cyclopentanone 1238.51
    2-pentanone 826.7
    anisole 322.11
    cyclopentyl methyl ether 906.61
    gamma-butyrolactone 1011.82
    1-methoxy-2-propanol 568.02
    pyridine 807.02
    3-pentanone 524.31
    furfural 801.91
    n-dodecane 46.92
    diethylene glycol 515.64
    diisopropyl ether 301.21
    tert-amyl alcohol 596.59
    acetylacetone 629.72
    n-hexadecane 53.56
    acetophenone 271.78
    methyl propionate 413.43
    isopentyl acetate 729.22
    trichloroethylene 953.92
    n-nonanol 278.82
    cyclohexanol 695.47
    benzyl alcohol 241.18
    2-ethylhexanol 543.22
    isooctanol 271.22
    dipropyl ether 820.79
    1,2-dichlorobenzene 343.23
    ethyl lactate 163.61
    propylene carbonate 540.56
    n-methylformamide 331.95
    2-pentanol 500.58
    n-pentane 193.77
    1-propoxy-2-propanol 835.89
    1-methoxy-2-propyl acetate 612.06
    2-(2-methoxypropoxy) propanol 359.64
    mesitylene 163.71
    ε-caprolactone 921.77
    p-cymene 210.94
    epichlorohydrin 888.3
    1,1,1-trichloroethane 735.58
    2-aminoethanol 245.6
    morpholine-4-carbaldehyde 769.42
    sulfolane 946.68
    2,2,4-trimethylpentane 81.0
    2-methyltetrahydrofuran 1412.77
    n-hexyl acetate 550.71
    isooctane 70.59
    2-(2-butoxyethoxy)ethanol 528.25
    sec-butyl acetate 298.14
    tert-butyl acetate 488.98
    decalin 93.23
    glycerin 226.18
    diglyme 877.1
    acrylic acid 308.36
    isopropyl myristate 223.33
    n-butyric acid 780.13
    acetyl acetate 439.02
    di(2-ethylhexyl) phthalate 181.37
    ethyl propionate 313.07
    nitromethane 706.63
    1,2-diethoxyethane 795.6
    benzonitrile 382.9
    trioctyl phosphate 159.71
    1-bromopropane 568.02
    gamma-valerolactone 1258.45
    n-decanol 200.08
    triethyl phosphate 204.63
    4-methyl-2-pentanol 249.07
    propionitrile 469.32
    vinylene carbonate 462.43
    1,1,2-trichlorotrifluoroethane 552.49
    DMS 264.02
    cumene 107.21
    2-octanol 251.25
    2-hexanone 524.2
    octyl acetate 282.11
    limonene 424.66
    1,2-dimethoxyethane 749.92
    ethyl orthosilicate 221.91
    tributyl phosphate 198.86
    diacetone alcohol 478.77
    N,N-dimethylaniline 193.63
    acrylonitrile 400.32
    aniline 389.89
    1,3-propanediol 436.86
    bromobenzene 451.77
    dibromomethane 726.31
    1,1,2,2-tetrachloroethane 741.27
    2-methyl-cyclohexyl acetate 390.18
    tetrabutyl urea 238.1
    diisobutyl methanol 308.67
    2-phenylethanol 387.22
    styrene 196.34
    dioctyl adipate 270.89
    dimethyl sulfate 191.97
    ethyl butyrate 561.09
    methyl lactate 186.6
    butyl lactate 320.25
    diethyl carbonate 298.58
    propanediol butyl ether 381.61
    triethyl orthoformate 387.75
    p-tert-butyltoluene 217.81
    methyl 4-tert-butylbenzoate 289.22
    morpholine 1289.59
    tert-butylamine 466.34
    n-dodecanol 156.01
    dimethoxymethane 511.39
    ethylene carbonate 425.94
    cyrene 315.32
    2-ethoxyethyl acetate 541.49
    2-ethylhexyl acetate 639.88
    1,2,4-trichlorobenzene 406.72
    4-methylpyridine 710.35
    dibutyl ether 496.78
    2,6-dimethyl-4-heptanol 308.67
    DEF 591.21
    dimethyl isosorbide 641.47
    tetrachloroethylene 570.35
    eugenol 280.6
    triacetin 384.74
    span 80 420.4
    1,4-butanediol 169.09
    1,1-dichloroethane 694.2
    2-methyl-1-pentanol 351.89
    methyl formate 255.41
    2-methyl-1-butanol 483.97
    n-decane 90.89
    butyronitrile 721.36
    3,7-dimethyl-1-octanol 318.49
    1-chlorooctane 252.16
    1-chlorotetradecane 102.34
    n-nonane 101.49
    undecane 60.77
    tert-butylcyclohexane 93.62
    cyclooctane 116.67
    cyclopentanol 661.33
    tetrahydropyran 1513.72
    tert-amyl methyl ether 506.71
    2,5,8-trioxanonane 615.36
    1-hexene 381.37
    2-isopropoxyethanol 371.55
    2,2,2-trifluoroethanol 187.65
    methyl butyrate 447.73

    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