2-(Methylthio)butane

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  • Identifiers

    CAS number
    10359-64-5

    Molecular formula
    C5H12S

    SMILES
    CCC(C)SC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 79.05%
    Vegetable 69.17%
    Green 62.53%
    Meaty 61.24%
    Onion 60.32%
    Alliaceous 56.96%
    Savory 51.62%
    Garlic 50.43%
    Cooked 39.57%
    Tropical 38.47%

     

    Flavor
    Green 55.9%
    Sulfurous 51.44%
    Onion 41.5%
    Meaty 36.28%
    Vegetable 32.09%
    Sulfury 32.07%
    Garlic 29.31%
    Earthy 28.78%
    Spicy 27.41%
    Cabbage 26.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.08 (weak base)

    Molecular weight
    104.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    111°C

    Flash point

    • 7.14 ˚C est.

  • Synonyms

    • 2-(Methylthio)butane
    • 2-methylsulfanylbutane
    • Butane, 2-(methylthio)-
    • RefChem:461431
    • 677-759-5
    • sec-Butyl Methyl sulfide
    • 10359-64-5
    • Methyl sec-butyl sulfide
    • 2-(methylsulfanyl)butane
    • Sulfide, sec-butyl methyl
    • 3-methyl-2-thiapentane
    • MFCD00015193
    • Methyl-sec-butylsulfid
    • SCHEMBL290814
    • SCHEMBL290815
    • SCHEMBL384084
    • SCHEMBL386179
    • SCHEMBL1935014
    • SCHEMBL3946650
    • SCHEMBL7458712
    • SCHEMBL8779844
    • SCHEMBL8862218
    • DTXSID40908490
    • IJRCRFQMYAJPPO-UHFFFAOYSA-N
    • AKOS025396892
    • DB-231761
    • H52365
    • 10359-64-5

  • Applications

    2-(Methylthio)butane, CAS 10359-64-5, is a thioether with a methylthio group attached to a butane chain, commonly viewed as an intermediate for sulfur-containing compounds and a potential component in various formulations. Real-world applications may include: fragrance/perfumery (sulfur-containing odor notes); flavor (as a precursor for flavor compounds); cosmetics/personal care (to develop or augment fragrance in personal care products); household products (as a fragrance ingredient in consumer cleaners/detergents); industrial manufacturing (as an intermediate for sulfur-containing compounds and other intermediates); polymers/plastics (as a precursor or additive in polymer processing); coatings/inks (as an ingredient in coatings or inks to impart fragrance or modify properties).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 688.5
    methanol 420.42
    isopropanol 505.2
    water 0.15
    ethyl acetate 1206.37
    n-propanol 667.9
    acetone 731.56
    n-butanol 828.45
    acetonitrile 578.34
    DMF 326.03
    toluene 693.93
    isobutanol 441.46
    1,4-dioxane 1664.78
    methyl acetate 706.37
    THF 2488.23
    2-butanone 962.9
    n-pentanol 522.8
    sec-butanol 641.49
    n-hexane 396.84
    ethylene glycol 44.99
    NMP 607.61
    cyclohexane 819.82
    DMSO 500.96
    n-butyl acetate 2464.78
    n-octanol 410.06
    chloroform 2233.72
    n-propyl acetate 718.15
    acetic acid 441.01
    dichloromethane 1608.27
    cyclohexanone 1641.63
    propylene glycol 95.65
    isopropyl acetate 700.61
    DMAc 344.8
    2-ethoxyethanol 472.04
    isopentanol 592.54
    n-heptane 861.69
    ethyl formate 553.52
    1,2-dichloroethane 988.08
    n-hexanol 1307.36
    2-methoxyethanol 620.78
    isobutyl acetate 405.36
    tetrachloromethane 668.92
    n-pentyl acetate 804.35
    transcutol 2017.44
    n-heptanol 458.89
    ethylbenzene 267.16
    MIBK 499.75
    2-propoxyethanol 1202.35
    tert-butanol 646.61
    MTBE 943.13
    2-butoxyethanol 556.67
    propionic acid 428.21
    o-xylene 347.85
    formic acid 67.57
    diethyl ether 1645.18
    m-xylene 372.46
    p-xylene 311.22
    chlorobenzene 756.84
    dimethyl carbonate 115.13
    n-octane 201.02
    formamide 105.52
    cyclopentanone 1357.13
    2-pentanone 936.24
    anisole 451.32
    cyclopentyl methyl ether 1234.61
    gamma-butyrolactone 1081.29
    1-methoxy-2-propanol 505.72
    pyridine 1272.93
    3-pentanone 708.33
    furfural 903.44
    n-dodecane 91.18
    diethylene glycol 419.93
    diisopropyl ether 477.64
    tert-amyl alcohol 660.16
    acetylacetone 650.82
    n-hexadecane 104.32
    acetophenone 340.12
    methyl propionate 561.26
    isopentyl acetate 1501.67
    trichloroethylene 1606.64
    n-nonanol 380.8
    cyclohexanol 837.34
    benzyl alcohol 274.7
    2-ethylhexanol 1080.18
    isooctanol 364.25
    dipropyl ether 1804.13
    1,2-dichlorobenzene 590.91
    ethyl lactate 177.37
    propylene carbonate 674.33
    n-methylformamide 238.25
    2-pentanol 623.73
    n-pentane 437.63
    1-propoxy-2-propanol 1252.31
    1-methoxy-2-propyl acetate 1022.11
    2-(2-methoxypropoxy) propanol 408.77
    mesitylene 242.23
    ε-caprolactone 1323.72
    p-cymene 400.88
    epichlorohydrin 1203.32
    1,1,1-trichloroethane 1260.02
    2-aminoethanol 148.74
    morpholine-4-carbaldehyde 728.69
    sulfolane 879.37
    2,2,4-trimethylpentane 148.5
    2-methyltetrahydrofuran 2081.08
    n-hexyl acetate 790.21
    isooctane 130.57
    2-(2-butoxyethoxy)ethanol 653.13
    sec-butyl acetate 476.42
    tert-butyl acetate 712.02
    decalin 210.56
    glycerin 112.12
    diglyme 1157.14
    acrylic acid 246.99
    isopropyl myristate 332.51
    n-butyric acid 943.41
    acetyl acetate 550.91
    di(2-ethylhexyl) phthalate 195.47
    ethyl propionate 526.29
    nitromethane 566.8
    1,2-diethoxyethane 1759.52
    benzonitrile 579.04
    trioctyl phosphate 180.42
    1-bromopropane 1161.95
    gamma-valerolactone 1356.41
    n-decanol 279.83
    triethyl phosphate 354.21
    4-methyl-2-pentanol 315.87
    propionitrile 654.57
    vinylene carbonate 551.58
    1,1,2-trichlorotrifluoroethane 577.01
    DMS 331.01
    cumene 171.09
    2-octanol 325.83
    2-hexanone 729.45
    octyl acetate 397.62
    limonene 845.97
    1,2-dimethoxyethane 978.86
    ethyl orthosilicate 403.3
    tributyl phosphate 256.25
    diacetone alcohol 501.7
    N,N-dimethylaniline 237.61
    acrylonitrile 483.86
    aniline 539.13
    1,3-propanediol 308.28
    bromobenzene 839.11
    dibromomethane 1374.92
    1,1,2,2-tetrachloroethane 1307.76
    2-methyl-cyclohexyl acetate 683.87
    tetrabutyl urea 277.31
    diisobutyl methanol 522.78
    2-phenylethanol 538.91
    styrene 355.13
    dioctyl adipate 361.44
    dimethyl sulfate 138.84
    ethyl butyrate 1381.21
    methyl lactate 150.41
    butyl lactate 407.64
    diethyl carbonate 647.01
    propanediol butyl ether 335.71
    triethyl orthoformate 947.72
    p-tert-butyltoluene 382.5
    methyl 4-tert-butylbenzoate 312.56
    morpholine 1708.1
    tert-butylamine 562.54
    n-dodecanol 215.1
    dimethoxymethane 424.58
    ethylene carbonate 570.29
    cyrene 280.34
    2-ethoxyethyl acetate 821.28
    2-ethylhexyl acetate 1409.42
    1,2,4-trichlorobenzene 623.49
    4-methylpyridine 1058.64
    dibutyl ether 1112.69
    2,6-dimethyl-4-heptanol 522.78
    DEF 723.8
    dimethyl isosorbide 788.67
    tetrachloroethylene 964.38
    eugenol 294.42
    triacetin 443.96
    span 80 468.58
    1,4-butanediol 105.6
    1,1-dichloroethane 1144.72
    2-methyl-1-pentanol 455.82
    methyl formate 172.68
    2-methyl-1-butanol 570.14
    n-decane 183.88
    butyronitrile 984.93
    3,7-dimethyl-1-octanol 473.51
    1-chlorooctane 438.02
    1-chlorotetradecane 160.35
    n-nonane 210.51
    undecane 121.56
    tert-butylcyclohexane 182.49
    cyclooctane 309.44
    cyclopentanol 696.61
    tetrahydropyran 2512.66
    tert-amyl methyl ether 714.05
    2,5,8-trioxanonane 737.21
    1-hexene 798.64
    2-isopropoxyethanol 359.06
    2,2,2-trifluoroethanol 102.63
    methyl butyrate 682.02

    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