Dibutyl sulfide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    544-40-1

    Molecular formula
    C8H18S

    SMILES
    CCCCSCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 84.1%
    Sulfurous 72.97%
    Vegetable 72.5%
    Alliaceous 64.49%
    Onion 59.89%
    Meaty 53.51%
    Garlic 51.14%
    Savory 49.55%
    Floral 46.11%
    Tropical 40.69%

     

    Flavor
    Green 58.14%
    Sulfurous 47.29%
    Herbal 44.94%
    Onion 43.77%
    Garlic 36.23%
    Rose 31.78%
    Sulfury 31.76%
    Burnt 31.14%
    Metallic 29.76%
    Violet-leaf 27.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.12 (neutral)

    Molecular weight
    146.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -80 °C

    Boiling point

    • 182.00 to 189.00 °C. @ 760.00 mm Hg

    Flash point

    • 65.58 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in ethyl alcohol and ethyl ether

  • Synonyms

    • Dibutyl sulfide
    • 544-40-1
    • Butyl sulfide
    • n-Butyl sulfide
    • Butylthiobutane
    • Di-n-butyl sulfide
    • Dibutyl sulphide
    • Butane, 1,1'-thiobis-
    • Butyl monosulfide
    • 1-butylsulfanylbutane
    • 5-THIANONANE
    • Dibutyl thioether
    • Thiononane-5
    • Di-n-butylsulfide
    • n-Dibutyl sulfide
    • Dibutylsulfide
    • n-Butyl-sulfide
    • 1-(Butylsulfanyl)butane
    • 1,1'-thiodibutane
    • Thianonane-5
    • 1,1'-Thiobis(butane)
    • 1,1'-Thiobisbutane
    • FEMA No. 2215
    • NSC 8460
    • EINECS 208-870-5
    • Sulfide, n-butyl-
    • UNII-3E3H471GA3
    • BRN 1732829
    • BUTYL SULPHIDE
    • DTXSID6022058
    • 1-butylsulfanyl-butane
    • AI3-18788
    • 1,1'-Thiobis-Butane
    • 3E3H471GA3
    • NSC-8460
    • HYDRANAL(R)-Coulomat CG
    • 1,1'-Thiobisbutane, 9CI
    • BUTYL SULFIDE [FHFI]
    • N-BUTYL SULFIDE [MI]
    • DTXCID902058
    • (n-C4H9)2S
    • FEMA 2215
    • 4-01-00-01559 (Beilstein Handbook Reference)
    • MFCD00009468
    • Dibutyl Sulfide; 1-Butylsulfanylbutane; Dibutylsulfide
    • Dinbutylsulfide
    • nButylsulfide
    • n-butylsulfide
    • 5Thianonane
    • Thiononane5
    • nDibutyl sulfide
    • Di-n-butyl sulfane
    • 1,1"Thiobisbutane
    • 1,1'Thiobisbutane
    • 1-butylsulanylbutane
    • di-1-butyl sulfide
    • 1-(butylthio)butane
    • Butane,1'-thiobis-
    • 1,1'Thiobis(butane)
    • Butane, 1,1'thiobis
    • Dibutyl sulfide, 96%
    • 5- THIANONANE
    • 1-(Butylsulphanyl)butane
    • 1-(Butylsulfanyl)butane #
    • SCHEMBL21882
    • Butyl sulfide, >=95%, FG
    • CHEMBL3561568
    • NSC8460
    • CHEBI:169705
    • BUTANE, 1,1'- THIOBIS-
    • Tox21_300985
    • Dibutyl sulfide, >=98.0% (GC)
    • AKOS015897454
    • HY-W250123
    • NCGC00248244-01
    • NCGC00254887-01
    • CAS-544-40-1
    • LS-13549
    • DB-254414
    • B0740
    • CS-0255960
    • NS00012211
    • E78233
    • A830181
    • Q11309564
    • Sulfur in di-n-butyl sulfide, NIST(R) SRM(R) 2720
    • Dibutyl sulfide, certified reference material, TraceCERT(R)

  • Applications

    Butyl sulfide (CAS 544-40-1) is an organosulfur compound with a characteristic onion-garlic odor that is employed as a flavor additive to impart umami notes to snacks, sauces and instant soups; as a calibration standard for electrochemical and optical sensors monitoring sulfur compounds in exhaust gases, petroleum streams and environmental laboratories; as a hydrophobic solvent and reactive intermediate in the synthesis of pharmaceuticals and agrochemicals; and as a tool in studies on biodesulfurization mechanisms, volcanic gas simulation and organic chemistry education.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1810.96
    methanol 757.24
    isopropanol 2388.83
    water 0.02
    ethyl acetate 4484.54
    n-propanol 2433.1
    acetone 5998.25
    n-butanol 3215.72
    acetonitrile 2183.24
    DMF 2755.52
    toluene 4426.08
    isobutanol 2328.73
    1,4-dioxane 7208.33
    methyl acetate 2971.12
    THF 15136.55
    2-butanone 4977.29
    n-pentanol 2059.55
    sec-butanol 2841.16
    n-hexane 5230.14
    ethylene glycol 110.47
    NMP 3565.1
    cyclohexane 11570.02
    DMSO 3935.35
    n-butyl acetate 9580.2
    n-octanol 2017.78
    chloroform 9315.99
    n-propyl acetate 3423.11
    acetic acid 1209.56
    dichloromethane 7981.11
    cyclohexanone 11046.62
    propylene glycol 328.76
    isopropyl acetate 3341.03
    DMAc 1967.29
    2-ethoxyethanol 1455.18
    isopentanol 3028.11
    n-heptane 10042.98
    ethyl formate 1860.5
    1,2-dichloroethane 6141.07
    n-hexanol 5060.59
    2-methoxyethanol 2035.69
    isobutyl acetate 2223.9
    tetrachloromethane 3081.72
    n-pentyl acetate 3511.83
    transcutol 5390.26
    n-heptanol 2109.86
    ethylbenzene 1969.08
    MIBK 3186.01
    2-propoxyethanol 3660.81
    tert-butanol 3973.35
    MTBE 5730.65
    2-butoxyethanol 1976.21
    propionic acid 1414.03
    o-xylene 2265.75
    formic acid 76.04
    diethyl ether 7568.04
    m-xylene 2361.64
    p-xylene 2485.05
    chlorobenzene 4065.96
    dimethyl carbonate 677.51
    n-octane 2258.02
    formamide 168.14
    cyclopentanone 9547.5
    2-pentanone 5498.57
    anisole 2138.33
    cyclopentyl methyl ether 9020.27
    gamma-butyrolactone 6285.3
    1-methoxy-2-propanol 2086.38
    pyridine 6469.71
    3-pentanone 3994.66
    furfural 3571.78
    n-dodecane 803.31
    diethylene glycol 1018.7
    diisopropyl ether 3229.41
    tert-amyl alcohol 3335.67
    acetylacetone 3807.07
    n-hexadecane 979.85
    acetophenone 1795.35
    methyl propionate 2500.87
    isopentyl acetate 6308.03
    trichloroethylene 8168.03
    n-nonanol 1843.43
    cyclohexanol 5119.47
    benzyl alcohol 1255.81
    2-ethylhexanol 4847.03
    isooctanol 1861.22
    dipropyl ether 12337.15
    1,2-dichlorobenzene 3038.51
    ethyl lactate 726.28
    propylene carbonate 3460.56
    n-methylformamide 866.88
    2-pentanol 3017.51
    n-pentane 3983.47
    1-propoxy-2-propanol 4674.69
    1-methoxy-2-propyl acetate 3609.59
    2-(2-methoxypropoxy) propanol 1210.35
    mesitylene 1743.84
    ε-caprolactone 6408.06
    p-cymene 2436.23
    epichlorohydrin 6223.61
    1,1,1-trichloroethane 8501.81
    2-aminoethanol 376.85
    morpholine-4-carbaldehyde 3158.85
    sulfolane 6614.66
    2,2,4-trimethylpentane 1215.79
    2-methyltetrahydrofuran 12342.52
    n-hexyl acetate 3789.27
    isooctane 1115.5
    2-(2-butoxyethoxy)ethanol 1948.24
    sec-butyl acetate 2363.77
    tert-butyl acetate 3801.55
    decalin 2266.18
    glycerin 327.98
    diglyme 4304.62
    acrylic acid 841.51
    isopropyl myristate 1738.31
    n-butyric acid 3439.09
    acetyl acetate 2077.69
    di(2-ethylhexyl) phthalate 791.8
    ethyl propionate 2650.25
    nitromethane 1952.18
    1,2-diethoxyethane 6408.88
    benzonitrile 2632.49
    trioctyl phosphate 822.63
    1-bromopropane 8189.57
    gamma-valerolactone 6903.8
    n-decanol 1323.77
    triethyl phosphate 1486.81
    4-methyl-2-pentanol 1684.87
    propionitrile 3010.17
    vinylene carbonate 2327.72
    1,1,2-trichlorotrifluoroethane 2712.76
    DMS 1394.22
    cumene 1230.77
    2-octanol 1728.4
    2-hexanone 4133.33
    octyl acetate 1833.58
    limonene 5803.95
    1,2-dimethoxyethane 4665.52
    ethyl orthosilicate 1704.37
    tributyl phosphate 1155.73
    diacetone alcohol 2455.53
    N,N-dimethylaniline 1415.86
    acrylonitrile 2205.65
    aniline 2629.36
    1,3-propanediol 839.64
    bromobenzene 5156.78
    dibromomethane 7849.01
    1,1,2,2-tetrachloroethane 7715.11
    2-methyl-cyclohexyl acetate 3078.71
    tetrabutyl urea 1580.44
    diisobutyl methanol 3202.45
    2-phenylethanol 1887.56
    styrene 2667.76
    dioctyl adipate 1703.99
    dimethyl sulfate 962.76
    ethyl butyrate 5995.08
    methyl lactate 640.06
    butyl lactate 1725.85
    diethyl carbonate 2662.55
    propanediol butyl ether 1198.74
    triethyl orthoformate 3805.4
    p-tert-butyltoluene 2323.17
    methyl 4-tert-butylbenzoate 1436.07
    morpholine 7623.5
    tert-butylamine 3911.34
    n-dodecanol 1044.17
    dimethoxymethane 2521.53
    ethylene carbonate 2587.57
    cyrene 999.04
    2-ethoxyethyl acetate 2578.56
    2-ethylhexyl acetate 5589.18
    1,2,4-trichlorobenzene 2985.31
    4-methylpyridine 5785.76
    dibutyl ether 7460.3
    2,6-dimethyl-4-heptanol 3202.45
    DEF 4087.58
    dimethyl isosorbide 2617.44
    tetrachloroethylene 4885.38
    eugenol 1055.38
    triacetin 1781.84
    span 80 1715.68
    1,4-butanediol 336.38
    1,1-dichloroethane 7111.97
    2-methyl-1-pentanol 1877.48
    methyl formate 760.77
    2-methyl-1-butanol 2597.21
    n-decane 1819.37
    butyronitrile 4819.61
    3,7-dimethyl-1-octanol 2468.31
    1-chlorooctane 3367.51
    1-chlorotetradecane 1116.28
    n-nonane 2325.33
    undecane 1140.2
    tert-butylcyclohexane 1818.67
    cyclooctane 3889.07
    cyclopentanol 4477.89
    tetrahydropyran 15100.48
    tert-amyl methyl ether 4171.63
    2,5,8-trioxanonane 2283.24
    1-hexene 7155.51
    2-isopropoxyethanol 1351.97
    2,2,2-trifluoroethanol 263.72
    methyl butyrate 3763.67

    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