Isopropyl Methyl Sulfide

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  • Identifiers

    CAS number
    1551-21-9

    Molecular formula
    C4H10S

    SMILES
    CC(C)SC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 84.95%
    Meaty 67.56%
    Vegetable 66.58%
    Onion 65.87%
    Garlic 60.77%
    Alliaceous 58.3%
    Savory 53.25%
    Cooked 39.67%
    Cabbage 39.07%
    Green 36.34%

     

    Flavor
    Sulfurous 60.65%
    Meaty 48.26%
    Onion 46.43%
    Green 44.73%
    Sulfury 40.55%
    Vegetable 37.74%
    Cabbage 33.95%
    Garlic 31.88%
    Fishy 31.59%
    Earthy 30.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.43 (weak base)

    Molecular weight
    90.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -101.48 °C

    Boiling point

    • 82.00 to 83.00 °C. @ 0.00 mm Hg

    Flash point

    • -9.38 ˚C est.

  • Synonyms

    • Isopropyl methyl sulfide
    • RefChem:792187
    • 678-559-0
    • 1551-21-9
    • 2-methylsulfanylpropane
    • Propane, 2-(methylthio)-
    • Methyl isopropyl sulfide
    • 2-(Methylsulfanyl)propane
    • 2-(Methylthio)propane
    • 3-METHYL-2-THIABUTANE
    • Isopropyl methyl sulphide
    • Sulfide, isopropyl methyl
    • MFCD00015035
    • 2-(methylthio)-propane
    • SCHEMBL87735
    • 2-(Methylsulfanyl)propane #
    • 2-(Methylthio)propane, 9CI
    • SCHEMBL123914
    • SCHEMBL217064
    • Isopropyl methyl sulfide, 8CI
    • SCHEMBL1387260
    • SCHEMBL5198377
    • SCHEMBL6654203
    • SCHEMBL7239703
    • SCHEMBL7567480
    • SCHEMBL10562552
    • DTXSID40165809
    • AKOS015897431
    • DB-230562
    • I0483
    • D91165
    • 1551-21-9

  • Applications

    Isopropyl Methyl Sulfide (CAS 1551-21-9) is used as a specialty solvent and processing aid in industrial manufacturing; it often serves as an intermediate for sulfur-containing compounds in organic synthesis; in the fragrance and flavor sectors it may be used as an odorant or fragrance component; in coatings, inks and adhesives formulations it acts as a solvent or processing aid; and it may appear in cleaning formulations as a processing solvent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 256.43
    methanol 155.62
    isopropanol 228.15
    water 0.48
    ethyl acetate 489.08
    n-propanol 270.81
    acetone 330.64
    n-butanol 313.48
    acetonitrile 265.8
    DMF 215.43
    toluene 304.2
    isobutanol 190.51
    1,4-dioxane 574.68
    methyl acetate 356.83
    THF 986.15
    2-butanone 426.71
    n-pentanol 199.86
    sec-butanol 299.82
    n-hexane 222.23
    ethylene glycol 44.13
    NMP 356.79
    cyclohexane 359.91
    DMSO 225.73
    n-butyl acetate 647.67
    n-octanol 254.24
    chloroform 1135.0
    n-propyl acetate 268.27
    acetic acid 235.61
    dichloromethane 653.96
    cyclohexanone 597.66
    propylene glycol 101.84
    isopropyl acetate 312.51
    DMAc 266.23
    2-ethoxyethanol 214.31
    isopentanol 238.31
    n-heptane 419.14
    ethyl formate 198.52
    1,2-dichloroethane 364.25
    n-hexanol 477.09
    2-methoxyethanol 284.32
    isobutyl acetate 176.92
    tetrachloromethane 331.61
    n-pentyl acetate 311.33
    transcutol 843.31
    n-heptanol 263.48
    ethylbenzene 151.76
    MIBK 215.81
    2-propoxyethanol 486.81
    tert-butanol 314.8
    MTBE 388.89
    2-butoxyethanol 319.09
    propionic acid 262.39
    o-xylene 189.0
    formic acid 43.32
    diethyl ether 516.45
    m-xylene 193.51
    p-xylene 181.27
    chlorobenzene 336.33
    dimethyl carbonate 97.74
    n-octane 118.2
    formamide 65.92
    cyclopentanone 656.43
    2-pentanone 405.96
    anisole 250.34
    cyclopentyl methyl ether 550.88
    gamma-butyrolactone 567.99
    1-methoxy-2-propanol 294.3
    pyridine 480.15
    3-pentanone 362.65
    furfural 430.74
    n-dodecane 65.1
    diethylene glycol 231.76
    diisopropyl ether 219.7
    tert-amyl alcohol 356.22
    acetylacetone 337.72
    n-hexadecane 72.85
    acetophenone 209.23
    methyl propionate 304.07
    isopentyl acetate 432.5
    trichloroethylene 715.03
    n-nonanol 239.94
    cyclohexanol 352.62
    benzyl alcohol 166.76
    2-ethylhexanol 419.23
    isooctanol 202.73
    dipropyl ether 679.21
    1,2-dichlorobenzene 288.42
    ethyl lactate 123.41
    propylene carbonate 359.5
    n-methylformamide 120.45
    2-pentanol 284.72
    n-pentane 224.32
    1-propoxy-2-propanol 562.18
    1-methoxy-2-propyl acetate 402.0
    2-(2-methoxypropoxy) propanol 275.88
    mesitylene 131.62
    ε-caprolactone 541.85
    p-cymene 206.22
    epichlorohydrin 518.08
    1,1,1-trichloroethane 617.47
    2-aminoethanol 103.88
    morpholine-4-carbaldehyde 344.43
    sulfolane 481.51
    2,2,4-trimethylpentane 90.94
    2-methyltetrahydrofuran 799.19
    n-hexyl acetate 357.38
    isooctane 69.24
    2-(2-butoxyethoxy)ethanol 384.55
    sec-butyl acetate 219.03
    tert-butyl acetate 332.16
    decalin 116.35
    glycerin 114.35
    diglyme 608.53
    acrylic acid 186.39
    isopropyl myristate 184.34
    n-butyric acid 410.33
    acetyl acetate 298.11
    di(2-ethylhexyl) phthalate 126.13
    ethyl propionate 252.43
    nitromethane 279.39
    1,2-diethoxyethane 490.42
    benzonitrile 256.45
    trioctyl phosphate 112.21
    1-bromopropane 435.25
    gamma-valerolactone 532.1
    n-decanol 180.69
    triethyl phosphate 182.29
    4-methyl-2-pentanol 158.94
    propionitrile 287.8
    vinylene carbonate 296.24
    1,1,2-trichlorotrifluoroethane 366.24
    DMS 188.34
    cumene 107.44
    2-octanol 191.32
    2-hexanone 298.35
    octyl acetate 230.73
    limonene 351.52
    1,2-dimethoxyethane 343.46
    ethyl orthosilicate 199.41
    tributyl phosphate 131.44
    diacetone alcohol 299.92
    N,N-dimethylaniline 161.13
    acrylonitrile 252.75
    aniline 275.69
    1,3-propanediol 159.93
    bromobenzene 354.49
    dibromomethane 567.79
    1,1,2,2-tetrachloroethane 638.42
    2-methyl-cyclohexyl acetate 293.02
    tetrabutyl urea 148.73
    diisobutyl methanol 240.39
    2-phenylethanol 265.49
    styrene 188.32
    dioctyl adipate 211.11
    dimethyl sulfate 116.92
    ethyl butyrate 472.45
    methyl lactate 128.02
    butyl lactate 216.96
    diethyl carbonate 268.52
    propanediol butyl ether 224.35
    triethyl orthoformate 362.03
    p-tert-butyltoluene 208.32
    methyl 4-tert-butylbenzoate 250.22
    morpholine 618.97
    tert-butylamine 276.24
    n-dodecanol 141.92
    dimethoxymethane 202.46
    ethylene carbonate 259.41
    cyrene 193.96
    2-ethoxyethyl acetate 315.86
    2-ethylhexyl acetate 404.92
    1,2,4-trichlorobenzene 338.84
    4-methylpyridine 398.01
    dibutyl ether 442.85
    2,6-dimethyl-4-heptanol 240.39
    DEF 353.28
    dimethyl isosorbide 403.26
    tetrachloroethylene 439.31
    eugenol 219.34
    triacetin 294.64
    span 80 317.15
    1,4-butanediol 64.56
    1,1-dichloroethane 526.39
    2-methyl-1-pentanol 189.73
    methyl formate 99.75
    2-methyl-1-butanol 241.52
    n-decane 119.08
    butyronitrile 366.22
    3,7-dimethyl-1-octanol 241.39
    1-chlorooctane 252.86
    1-chlorotetradecane 102.1
    n-nonane 130.86
    undecane 83.23
    tert-butylcyclohexane 102.92
    cyclooctane 162.7
    cyclopentanol 351.55
    tetrahydropyran 853.61
    tert-amyl methyl ether 355.16
    2,5,8-trioxanonane 408.54
    1-hexene 353.62
    2-isopropoxyethanol 191.02
    2,2,2-trifluoroethanol 89.63
    methyl butyrate 304.4

    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