2-(Methylthio)ethyl acetate

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  • Identifiers

    CAS number
    5862-47-5

    Molecular formula
    C5H10O2S

    SMILES
    CC(=O)OCCSC

  • Odor profile

    Fragrance
    Fruity 85.16%
    Sulfurous 82.02%
    Tropical 66.53%
    Sweet 64.46%
    Green 56.31%
    Vegetable 54.92%
    Onion 51.61%
    Cheesy 50.98%
    Meaty 47.11%
    Cabbage 43.34%

     

    Flavor
    Fruity 54.65%
    Vegetable 47.06%
    Fatty 43.73%
    Sulfurous 41.07%
    Sweet 40.68%
    Spicy 39.5%
    Potato 39.19%
    Sulfury 38.86%
    Earthy 38.71%
    Tomato 36.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.5 (neutral)

    Molecular weight
    134.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    190°C

    Flash point

    • 65.8 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-(Methylthio)ethyl acetate
    • 5862-47-5
    • 2-methylsulfanylethyl Acetate
    • Acetic acid 2-methylsulfanyl-ethyl ester
    • 2-Acetoxyethyl methyl sulfide
    • FEMA No. 4560
    • Ethanol, 2-(methylthio)-, acetate
    • Ethanol, 2-(methylthio)-, 1-acetate
    • UNII-209Q6G4O2H
    • beta-Acetoxyethyl methyl sulfide
    • 209Q6G4O2H
    • .BETA.-ACETOXYETHYL METHYL SULFIDE
    • 2-(METHYLSULFANYL)ETHYL ACETATE
    • (methylthio)ethyl acetate
    • 2-(Methylthio)ethylacetate
    • CHEMBL42606
    • SCHEMBL1104791
    • 2-(Methylthio)ethanol, 1-acetate
    • DTXSID601009988
    • AKOS006230748
    • Q27253452

  • Applications

    2-(Methylthio)ethyl acetate (CAS 5862-47-5) is used as a fragrance intermediate and odorant in perfumery and cosmetics, contributing sulfur-containing notes; it may operate as a specialty solvent or processing aid in coatings, inks and household cleaning formulations; in industrial manufacturing it serves as a reactive intermediate for the synthesis of sulfur-containing compounds; it can function as a fragrance ingredient in cosmetics and personal care products; and it may be a precursor for other esters and thioether-containing intermediates in specialty chemical syntheses. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 645.65
    methanol 945.03
    isopropanol 405.47
    water 35.9
    ethyl acetate 261.91
    n-propanol 336.14
    acetone 711.19
    n-butanol 283.6
    acetonitrile 606.84
    DMF 834.58
    toluene 120.11
    isobutanol 218.87
    1,4-dioxane 960.64
    methyl acetate 312.96
    THF 978.92
    2-butanone 317.0
    n-pentanol 173.43
    sec-butanol 268.93
    n-hexane 32.8
    ethylene glycol 227.83
    NMP 839.09
    cyclohexane 118.75
    DMSO 916.44
    n-butyl acetate 131.86
    n-octanol 152.85
    chloroform 854.42
    n-propyl acetate 145.48
    acetic acid 1045.87
    dichloromethane 775.28
    cyclohexanone 676.02
    propylene glycol 254.25
    isopropyl acetate 120.52
    DMAc 604.41
    2-ethoxyethanol 326.3
    isopentanol 176.58
    n-heptane 33.26
    ethyl formate 243.55
    1,2-dichloroethane 325.46
    n-hexanol 157.55
    2-methoxyethanol 688.78
    isobutyl acetate 83.65
    tetrachloromethane 96.77
    n-pentyl acetate 124.47
    transcutol 995.13
    n-heptanol 87.85
    ethylbenzene 71.6
    MIBK 100.28
    2-propoxyethanol 287.88
    tert-butanol 370.04
    MTBE 154.76
    2-butoxyethanol 177.13
    propionic acid 425.5
    o-xylene 102.26
    formic acid 392.04
    diethyl ether 207.22
    m-xylene 81.99
    p-xylene 114.69
    chlorobenzene 207.12
    dimethyl carbonate 88.93
    n-octane 14.47
    formamide 497.38
    cyclopentanone 706.58
    2-pentanone 218.94
    anisole 183.88
    cyclopentyl methyl ether 297.66
    gamma-butyrolactone 754.17
    1-methoxy-2-propanol 408.95
    pyridine 566.59
    3-pentanone 164.42
    furfural 754.81
    n-dodecane 14.39
    diethylene glycol 286.6
    diisopropyl ether 45.03
    tert-amyl alcohol 250.44
    acetylacetone 288.36
    n-hexadecane 16.24
    acetophenone 196.26
    methyl propionate 201.73
    isopentyl acetate 109.29
    trichloroethylene 666.85
    n-nonanol 123.34
    cyclohexanol 385.9
    benzyl alcohol 199.69
    2-ethylhexanol 101.19
    isooctanol 70.63
    dipropyl ether 114.76
    1,2-dichlorobenzene 190.13
    ethyl lactate 97.08
    propylene carbonate 328.84
    n-methylformamide 465.98
    2-pentanol 153.45
    n-pentane 32.61
    1-propoxy-2-propanol 191.23
    1-methoxy-2-propyl acetate 144.65
    2-(2-methoxypropoxy) propanol 224.2
    mesitylene 50.53
    ε-caprolactone 470.05
    p-cymene 50.66
    epichlorohydrin 541.69
    1,1,1-trichloroethane 288.1
    2-aminoethanol 336.44
    morpholine-4-carbaldehyde 841.32
    sulfolane 776.13
    2,2,4-trimethylpentane 13.04
    2-methyltetrahydrofuran 549.6
    n-hexyl acetate 220.79
    isooctane 7.85
    2-(2-butoxyethoxy)ethanol 340.45
    sec-butyl acetate 83.09
    tert-butyl acetate 120.6
    decalin 33.68
    glycerin 354.8
    diglyme 545.88
    acrylic acid 428.66
    isopropyl myristate 81.77
    n-butyric acid 412.93
    acetyl acetate 209.42
    di(2-ethylhexyl) phthalate 91.66
    ethyl propionate 127.01
    nitromethane 1182.59
    1,2-diethoxyethane 234.55
    benzonitrile 301.72
    trioctyl phosphate 67.86
    1-bromopropane 163.68
    gamma-valerolactone 903.0
    n-decanol 88.81
    triethyl phosphate 73.72
    4-methyl-2-pentanol 67.87
    propionitrile 289.84
    vinylene carbonate 354.48
    1,1,2-trichlorotrifluoroethane 501.1
    DMS 153.19
    cumene 52.53
    2-octanol 74.97
    2-hexanone 154.85
    octyl acetate 109.79
    limonene 85.19
    1,2-dimethoxyethane 549.18
    ethyl orthosilicate 70.39
    tributyl phosphate 84.93
    diacetone alcohol 190.87
    N,N-dimethylaniline 135.46
    acrylonitrile 390.98
    aniline 235.51
    1,3-propanediol 392.82
    bromobenzene 187.54
    dibromomethane 446.42
    1,1,2,2-tetrachloroethane 518.35
    2-methyl-cyclohexyl acetate 119.52
    tetrabutyl urea 125.6
    diisobutyl methanol 52.89
    2-phenylethanol 150.18
    styrene 102.5
    dioctyl adipate 140.6
    dimethyl sulfate 157.04
    ethyl butyrate 117.2
    methyl lactate 155.47
    butyl lactate 119.64
    diethyl carbonate 92.88
    propanediol butyl ether 250.34
    triethyl orthoformate 101.03
    p-tert-butyltoluene 47.48
    methyl 4-tert-butylbenzoate 171.48
    morpholine 948.8
    tert-butylamine 210.61
    n-dodecanol 69.13
    dimethoxymethane 320.88
    ethylene carbonate 274.54
    cyrene 227.59
    2-ethoxyethyl acetate 174.39
    2-ethylhexyl acetate 91.71
    1,2,4-trichlorobenzene 241.23
    4-methylpyridine 464.09
    dibutyl ether 151.65
    2,6-dimethyl-4-heptanol 52.89
    DEF 305.87
    dimethyl isosorbide 320.17
    tetrachloroethylene 354.42
    eugenol 179.86
    triacetin 244.34
    span 80 245.44
    1,4-butanediol 146.33
    1,1-dichloroethane 337.22
    2-methyl-1-pentanol 129.88
    methyl formate 349.69
    2-methyl-1-butanol 176.68
    n-decane 23.73
    butyronitrile 292.67
    3,7-dimethyl-1-octanol 113.49
    1-chlorooctane 79.88
    1-chlorotetradecane 34.46
    n-nonane 24.14
    undecane 17.58
    tert-butylcyclohexane 23.04
    cyclooctane 25.32
    cyclopentanol 428.88
    tetrahydropyran 695.51
    tert-amyl methyl ether 118.76
    2,5,8-trioxanonane 434.99
    1-hexene 97.78
    2-isopropoxyethanol 181.02
    2,2,2-trifluoroethanol 300.44
    methyl butyrate 185.35

    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