Ethyl isobutyl sulfide

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  • Identifiers

    CAS number
    1613-45-2

    Molecular formula
    C6H14S

    SMILES
    CCSCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 86.98%
    Vegetable 72.41%
    Meaty 69.56%
    Alliaceous 66.1%
    Onion 66.07%
    Green 66.07%
    Garlic 57.58%
    Savory 57.4%
    Tropical 42.19%
    Roasted 41.0%

     

    Flavor
    Sulfurous 58.35%
    Onion 53.0%
    Green 37.63%
    Garlic 36.41%
    Meaty 36.21%
    Sulfury 35.52%
    Alliaceous 29.17%
    Vegetable 29.0%
    Burnt 26.95%
    Fishy 26.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.86 (neutral)

    Molecular weight
    118.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    134°C

    Flash point

    • 19.3 ˚C est.

  • Synonyms

    • Ethyl isobutyl sulfide
    • 1613-45-2
    • Sulfide, ethyl isobutyl
    • Propane, 1-(ethylthio)-2-methyl-
    • (2-Methylpropyl) ethyl sulfide
    • DTXSID00333926
    • RefChem:138959
    • DTXCID40285016
    • OIRKGXWQBSPXLQ-UHFFFAOYSA-N
    • 1-ethylsulfanyl-2-methylpropane
    • 1-(Ethylsulfanyl)-2-methylpropane
    • Propane,1-(ethylthio)-2-methyl-
    • SCHEMBL290091
    • SCHEMBL290092
    • SCHEMBL576072
    • SCHEMBL8744863
    • SCHEMBL8744877
    • SCHEMBL8744930
    • 1-(Ethylsulfanyl)-2-methylpropane #
    • AKOS006229857
    • DB-043487
    • 1613-45-2

  • Applications

    Ethyl isobutyl sulfide (CAS 1613-45-2) is a relatively nonpolar thioether that is primarily evaluated for use as an odorant in perfumery and fragrance formulations, where it can contribute a distinctive note and may function as a fragrance fixative in blends. It is also considered for cosmetics and personal care as a fragrance component to support scent profiles. In industrial manufacturing, it may serve as a solvent or processing aid for specialty chemicals and as an intermediate in the synthesis of other organosulfur compounds. It can also be used in household and cleaning products to impart or support a specific odor profile.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 457.84
    methanol 239.5
    isopropanol 549.34
    water 0.06
    ethyl acetate 756.03
    n-propanol 544.68
    acetone 1065.1
    n-butanol 704.03
    acetonitrile 391.95
    DMF 555.56
    toluene 747.07
    isobutanol 535.23
    1,4-dioxane 1324.38
    methyl acetate 591.08
    THF 2798.89
    2-butanone 1007.09
    n-pentanol 434.81
    sec-butanol 651.58
    n-hexane 814.86
    ethylene glycol 45.99
    NMP 906.75
    cyclohexane 1265.79
    DMSO 751.57
    n-butyl acetate 1869.73
    n-octanol 600.58
    chloroform 1573.61
    n-propyl acetate 558.31
    acetic acid 287.77
    dichloromethane 1121.31
    cyclohexanone 1988.33
    propylene glycol 127.83
    isopropyl acetate 653.19
    DMAc 502.43
    2-ethoxyethanol 346.39
    isopentanol 672.42
    n-heptane 1518.46
    ethyl formate 332.57
    1,2-dichloroethane 816.94
    n-hexanol 1383.29
    2-methoxyethanol 508.3
    isobutyl acetate 455.35
    tetrachloromethane 564.68
    n-pentyl acetate 694.78
    transcutol 1233.56
    n-heptanol 578.49
    ethylbenzene 373.58
    MIBK 699.04
    2-propoxyethanol 1102.66
    tert-butanol 892.95
    MTBE 1213.7
    2-butoxyethanol 521.68
    propionic acid 357.62
    o-xylene 483.61
    formic acid 29.51
    diethyl ether 1188.85
    m-xylene 540.69
    p-xylene 469.75
    chlorobenzene 713.11
    dimethyl carbonate 149.59
    n-octane 396.06
    formamide 41.49
    cyclopentanone 1846.84
    2-pentanone 1054.18
    anisole 467.73
    cyclopentyl methyl ether 1703.45
    gamma-butyrolactone 1235.68
    1-methoxy-2-propanol 556.25
    pyridine 907.37
    3-pentanone 799.9
    furfural 798.34
    n-dodecane 183.32
    diethylene glycol 378.72
    diisopropyl ether 617.71
    tert-amyl alcohol 823.0
    acetylacetone 830.41
    n-hexadecane 214.3
    acetophenone 406.22
    methyl propionate 518.34
    isopentyl acetate 1468.43
    trichloroethylene 1258.96
    n-nonanol 524.59
    cyclohexanol 1073.61
    benzyl alcohol 291.78
    2-ethylhexanol 1237.3
    isooctanol 488.73
    dipropyl ether 2021.33
    1,2-dichlorobenzene 602.37
    ethyl lactate 197.56
    propylene carbonate 765.84
    n-methylformamide 191.5
    2-pentanol 636.48
    n-pentane 623.77
    1-propoxy-2-propanol 1315.24
    1-methoxy-2-propyl acetate 968.1
    2-(2-methoxypropoxy) propanol 446.99
    mesitylene 418.43
    ε-caprolactone 1284.13
    p-cymene 561.6
    epichlorohydrin 1089.47
    1,1,1-trichloroethane 1272.22
    2-aminoethanol 124.58
    morpholine-4-carbaldehyde 757.48
    sulfolane 1566.22
    2,2,4-trimethylpentane 274.3
    2-methyltetrahydrofuran 2321.66
    n-hexyl acetate 950.64
    isooctane 246.75
    2-(2-butoxyethoxy)ethanol 635.84
    sec-butyl acetate 447.59
    tert-butyl acetate 874.19
    decalin 392.73
    glycerin 135.5
    diglyme 1087.69
    acrylic acid 214.65
    isopropyl myristate 493.41
    n-butyric acid 736.65
    acetyl acetate 430.12
    di(2-ethylhexyl) phthalate 269.81
    ethyl propionate 457.49
    nitromethane 393.73
    1,2-diethoxyethane 1154.03
    benzonitrile 516.8
    trioctyl phosphate 275.47
    1-bromopropane 1129.59
    gamma-valerolactone 1419.63
    n-decanol 393.22
    triethyl phosphate 359.72
    4-methyl-2-pentanol 419.83
    propionitrile 560.68
    vinylene carbonate 505.89
    1,1,2-trichlorotrifluoroethane 576.22
    DMS 375.08
    cumene 277.64
    2-octanol 479.28
    2-hexanone 791.11
    octyl acetate 524.05
    limonene 1257.34
    1,2-dimethoxyethane 859.96
    ethyl orthosilicate 388.86
    tributyl phosphate 331.03
    diacetone alcohol 723.19
    N,N-dimethylaniline 330.49
    acrylonitrile 411.93
    aniline 514.24
    1,3-propanediol 250.91
    bromobenzene 867.3
    dibromomethane 1137.72
    1,1,2,2-tetrachloroethane 1215.9
    2-methyl-cyclohexyl acetate 801.74
    tetrabutyl urea 427.16
    diisobutyl methanol 752.64
    2-phenylethanol 555.14
    styrene 439.91
    dioctyl adipate 485.05
    dimethyl sulfate 234.42
    ethyl butyrate 1060.27
    methyl lactate 197.53
    butyl lactate 452.46
    diethyl carbonate 531.85
    propanediol butyl ether 435.16
    triethyl orthoformate 748.4
    p-tert-butyltoluene 561.47
    methyl 4-tert-butylbenzoate 468.06
    morpholine 1324.36
    tert-butylamine 737.46
    n-dodecanol 310.93
    dimethoxymethane 505.42
    ethylene carbonate 507.02
    cyrene 349.7
    2-ethoxyethyl acetate 596.9
    2-ethylhexyl acetate 1365.96
    1,2,4-trichlorobenzene 681.12
    4-methylpyridine 982.04
    dibutyl ether 1320.18
    2,6-dimethyl-4-heptanol 752.64
    DEF 752.24
    dimethyl isosorbide 882.58
    tetrachloroethylene 796.53
    eugenol 373.53
    triacetin 506.88
    span 80 573.91
    1,4-butanediol 107.41
    1,1-dichloroethane 1065.39
    2-methyl-1-pentanol 436.12
    methyl formate 163.33
    2-methyl-1-butanol 615.23
    n-decane 362.89
    butyronitrile 822.2
    3,7-dimethyl-1-octanol 673.68
    1-chlorooctane 731.65
    1-chlorotetradecane 287.62
    n-nonane 436.12
    undecane 242.02
    tert-butylcyclohexane 366.99
    cyclooctane 573.02
    cyclopentanol 936.52
    tetrahydropyran 2318.62
    tert-amyl methyl ether 983.03
    2,5,8-trioxanonane 691.96
    1-hexene 1119.55
    2-isopropoxyethanol 348.75
    2,2,2-trifluoroethanol 73.63
    methyl butyrate 624.94

    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