Ethyl isopropyl sulphide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5145-99-3

    Molecular formula
    C5H12S

    SMILES
    CCSC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 88.19%
    Meaty 74.55%
    Onion 69.56%
    Garlic 64.47%
    Vegetable 62.62%
    Alliaceous 60.15%
    Savory 58.17%
    Roasted 43.0%
    Tropical 42.48%
    Coffee 40.13%

     

    Flavor
    Sulfurous 61.27%
    Onion 52.4%
    Meaty 44.28%
    Sulfury 38.32%
    Garlic 32.59%
    Fishy 30.46%
    Gassy 29.01%
    Alliaceous 27.85%
    Cabbage 27.29%
    Vegetable 25.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.19 (weak base)

    Molecular weight
    104.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    107°C

    Flash point

    • 3.76 ˚C est.

  • Synonyms

    • Ethyl isopropyl sulphide
    • 2-(Ethylthio)propane
    • EINECS 225-917-5
    • DTXSID70199430
    • NSC 163314
    • RefChem:596235
    • DTXCID00121921
    • 225-917-5
    • Ethyl isopropyl sulfide
    • 5145-99-3
    • 2-ethylsulfanylpropane
    • Propane, 2-(ethylthio)-
    • 2-Methyl-3-thiapentane
    • Sulfide, ethyl isopropyl
    • Isopropyl ethyl sulfide
    • MFCD00039908
    • NSC-163314
    • 2-(Ethylsulfanyl)propane
    • Ethylisopropyl sulfide
    • 2-ethylsulanylpropane
    • Isopropyl ethyl sulphide
    • C2H5S(iso-C3H7)
    • 2-(Ethylsulfanyl)propane #
    • 9FM2V7QR4Z
    • SCHEMBL97111
    • SCHEMBL97112
    • SCHEMBL126061
    • SCHEMBL126062
    • SCHEMBL216325
    • SCHEMBL7994772
    • SCHEMBL9207686
    • SCHEMBL9342998
    • SCHEMBL9343001
    • CHEBI:229116
    • NSC163314
    • DB-051965
    • E0225
    • NS00032279
    • D90463
    • InChI=1/C5H12S/c1-4-6-5(2)3/h5H,4H2,1-3H
    • 5145-99-3

  • Applications

    Ethyl isopropyl sulphide (CAS 5145-99-3) is primarily used as an organic-sulfur building block in chemical synthesis, functioning as a versatile thioether intermediate for preparing sulfur-containing fine chemicals in the pharmaceutical, fragrance, and specialty chemicals sectors. In industry it can serve as a solvent or reaction medium for processes where a nonpolar, low-volatility sulfide is advantageous. It may also appear as a precursor in fragrance and flavor chemistry, contributing to sulfur-containing notes through thioether chemistry. Additionally, it can be evaluated as a reagent for synthesizing sulfur-containing polymers or coatings formulations in certain applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 970.7
    methanol 544.71
    isopropanol 760.52
    water 0.17
    ethyl acetate 1426.58
    n-propanol 917.16
    acetone 1291.17
    n-butanol 1179.46
    acetonitrile 693.43
    DMF 497.29
    toluene 938.95
    isobutanol 674.04
    1,4-dioxane 2032.08
    methyl acetate 924.24
    THF 3940.45
    2-butanone 1317.76
    n-pentanol 671.64
    sec-butanol 912.02
    n-hexane 956.6
    ethylene glycol 70.41
    NMP 1034.56
    cyclohexane 1629.33
    DMSO 704.3
    n-butyl acetate 2938.32
    n-octanol 729.18
    chloroform 2498.41
    n-propyl acetate 895.38
    acetic acid 630.89
    dichloromethane 1768.69
    cyclohexanone 2374.01
    propylene glycol 161.44
    isopropyl acetate 915.8
    DMAc 490.02
    2-ethoxyethanol 539.84
    isopentanol 859.96
    n-heptane 1881.78
    ethyl formate 656.36
    1,2-dichloroethane 1097.46
    n-hexanol 1901.28
    2-methoxyethanol 797.87
    isobutyl acetate 544.64
    tetrachloromethane 839.85
    n-pentyl acetate 1077.09
    transcutol 2104.93
    n-heptanol 766.02
    ethylbenzene 386.47
    MIBK 754.92
    2-propoxyethanol 1521.22
    tert-butanol 977.9
    MTBE 1397.33
    2-butoxyethanol 778.88
    propionic acid 587.86
    o-xylene 505.77
    formic acid 84.37
    diethyl ether 2156.09
    m-xylene 547.65
    p-xylene 455.2
    chlorobenzene 900.6
    dimethyl carbonate 185.11
    n-octane 424.74
    formamide 114.93
    cyclopentanone 2183.19
    2-pentanone 1430.84
    anisole 565.81
    cyclopentyl methyl ether 2150.23
    gamma-butyrolactone 1746.41
    1-methoxy-2-propanol 710.34
    pyridine 1366.31
    3-pentanone 1038.49
    furfural 1049.52
    n-dodecane 191.3
    diethylene glycol 535.36
    diisopropyl ether 793.27
    tert-amyl alcohol 1003.01
    acetylacetone 918.91
    n-hexadecane 225.84
    acetophenone 435.56
    methyl propionate 755.04
    isopentyl acetate 1899.79
    trichloroethylene 1732.01
    n-nonanol 651.59
    cyclohexanol 1420.18
    benzyl alcohol 339.14
    2-ethylhexanol 1617.76
    isooctanol 588.72
    dipropyl ether 2869.69
    1,2-dichlorobenzene 715.16
    ethyl lactate 228.44
    propylene carbonate 989.87
    n-methylformamide 321.9
    2-pentanol 923.81
    n-pentane 894.98
    1-propoxy-2-propanol 1754.38
    1-methoxy-2-propyl acetate 1321.99
    2-(2-methoxypropoxy) propanol 523.71
    mesitylene 387.65
    ε-caprolactone 1837.8
    p-cymene 603.74
    epichlorohydrin 1574.09
    1,1,1-trichloroethane 1619.15
    2-aminoethanol 207.79
    morpholine-4-carbaldehyde 959.61
    sulfolane 1484.13
    2,2,4-trimethylpentane 297.93
    2-methyltetrahydrofuran 3189.92
    n-hexyl acetate 1220.48
    isooctane 252.41
    2-(2-butoxyethoxy)ethanol 800.71
    sec-butyl acetate 640.68
    tert-butyl acetate 984.78
    decalin 414.01
    glycerin 166.22
    diglyme 1406.67
    acrylic acid 345.74
    isopropyl myristate 530.59
    n-butyric acid 1255.16
    acetyl acetate 738.31
    di(2-ethylhexyl) phthalate 290.31
    ethyl propionate 662.02
    nitromethane 723.5
    1,2-diethoxyethane 1871.92
    benzonitrile 612.83
    trioctyl phosphate 301.03
    1-bromopropane 1465.17
    gamma-valerolactone 1829.53
    n-decanol 462.29
    triethyl phosphate 448.6
    4-methyl-2-pentanol 471.03
    propionitrile 792.93
    vinylene carbonate 707.95
    1,1,2-trichlorotrifluoroethane 759.81
    DMS 444.83
    cumene 259.32
    2-octanol 558.86
    2-hexanone 989.72
    octyl acetate 633.89
    limonene 1383.99
    1,2-dimethoxyethane 1096.6
    ethyl orthosilicate 515.98
    tributyl phosphate 392.03
    diacetone alcohol 759.54
    N,N-dimethylaniline 326.85
    acrylonitrile 567.33
    aniline 666.65
    1,3-propanediol 416.36
    bromobenzene 1007.99
    dibromomethane 1658.79
    1,1,2,2-tetrachloroethane 1493.78
    2-methyl-cyclohexyl acetate 957.27
    tetrabutyl urea 445.38
    diisobutyl methanol 843.42
    2-phenylethanol 687.27
    styrene 483.63
    dioctyl adipate 526.28
    dimethyl sulfate 230.46
    ethyl butyrate 1556.8
    methyl lactate 218.68
    butyl lactate 575.07
    diethyl carbonate 759.14
    propanediol butyl ether 511.02
    triethyl orthoformate 1140.09
    p-tert-butyltoluene 605.62
    methyl 4-tert-butylbenzoate 486.09
    morpholine 2149.09
    tert-butylamine 855.19
    n-dodecanol 355.76
    dimethoxymethane 622.09
    ethylene carbonate 725.99
    cyrene 379.57
    2-ethoxyethyl acetate 968.25
    2-ethylhexyl acetate 1813.28
    1,2,4-trichlorobenzene 780.29
    4-methylpyridine 1247.16
    dibutyl ether 1656.71
    2,6-dimethyl-4-heptanol 843.42
    DEF 1024.39
    dimethyl isosorbide 1034.21
    tetrachloroethylene 1108.62
    eugenol 388.71
    triacetin 614.9
    span 80 666.68
    1,4-butanediol 151.01
    1,1-dichloroethane 1377.79
    2-methyl-1-pentanol 580.36
    methyl formate 254.09
    2-methyl-1-butanol 842.99
    n-decane 394.68
    butyronitrile 1282.84
    3,7-dimethyl-1-octanol 790.66
    1-chlorooctane 814.6
    1-chlorotetradecane 298.64
    n-nonane 460.74
    undecane 261.97
    tert-butylcyclohexane 375.35
    cyclooctane 654.81
    cyclopentanol 1203.61
    tetrahydropyran 3472.83
    tert-amyl methyl ether 1155.25
    2,5,8-trioxanonane 863.81
    1-hexene 1356.34
    2-isopropoxyethanol 463.72
    2,2,2-trifluoroethanol 152.24
    methyl butyrate 865.96

    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