Butyl beta-(methylthio)acrylate

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  • Identifiers

    CAS number
    77105-53-4

    Molecular formula
    C8H14O2S

    SMILES
    CCCCOC(=O)/C=C/SC

  • Odor profile

    Fragrance
    Fruity 79.35%
    Sulfurous 57.79%
    Tropical 51.47%
    Sweet 45.36%
    Pineapple 40.78%
    Onion 40.4%
    Cheesy 38.19%
    Green 29.62%
    Vegetable 28.24%
    Pungent 27.5%

     

    Flavor
    Fruity 52.68%
    Cheese 28.74%
    Tropical 26.5%
    Vegetable 24.12%
    Cooked 23.97%
    Pineapple 23.21%
    Cabbage 22.61%
    Sulfury 22.0%
    Fatty 21.16%
    Mushroom 20.59%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.06 (neutral)

    Molecular weight
    174.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 90.72 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Butyl beta-(methylthio)acrylate
    • FEMA No. 4571
    • Butyl 3-(methylsulfanyl)acrylate
    • UNII-1273K31113
    • 2-Propenoic acid, 3-(methylthio)-, butyl ester
    • 77105-53-4
    • 1273K31113
    • DTXSID00227896
    • BUTYL 3-(METHYLTHIO)ACRYLATE
    • BUTYL .BETA.-(METHYLTHIO)ACRYLATE
    • SCHEMBL18339276
    • DTXCID50150387
    • Q27251379

  • Applications

    Butyl beta-(methylthio)acrylate (CAS 77105-53-4) is primarily used as a reactive monomer in the synthesis of specialty acrylate polymers for coatings and plastics. It is commonly formulated into UV-curable coatings and inks to introduce sulfur-containing functionality and to tailor adhesion, flexibility, and chemical resistance. The compound also serves as a component in adhesive and sealant formulations, where its acrylate functionality enables rapid curing and crosslinking. In chemical synthesis, it is used as an intermediate to introduce a thioether moiety into polymer backbones or downstream products. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 960.71
    methanol 1122.46
    isopropanol 675.77
    water 0.63
    ethyl acetate 486.72
    n-propanol 633.01
    acetone 1064.59
    n-butanol 579.6
    acetonitrile 560.06
    DMF 1954.2
    toluene 392.88
    isobutanol 486.4
    1,4-dioxane 1050.75
    methyl acetate 512.02
    THF 1256.58
    2-butanone 666.65
    n-pentanol 488.62
    sec-butanol 570.38
    n-hexane 74.88
    ethylene glycol 187.83
    NMP 1244.16
    cyclohexane 195.34
    DMSO 1646.69
    n-butyl acetate 531.16
    n-octanol 215.03
    chloroform 1867.29
    n-propyl acetate 405.31
    acetic acid 1025.14
    dichloromethane 1552.52
    cyclohexanone 1210.47
    propylene glycol 278.83
    isopropyl acetate 283.93
    DMAc 999.01
    2-ethoxyethanol 527.1
    isopentanol 476.55
    n-heptane 43.38
    ethyl formate 414.8
    1,2-dichloroethane 1097.41
    n-hexanol 465.61
    2-methoxyethanol 915.9
    isobutyl acetate 252.52
    tetrachloromethane 201.49
    n-pentyl acetate 298.55
    transcutol 1722.46
    n-heptanol 196.44
    ethylbenzene 216.51
    MIBK 296.65
    2-propoxyethanol 612.16
    tert-butanol 699.55
    MTBE 401.46
    2-butoxyethanol 366.27
    propionic acid 553.49
    o-xylene 231.62
    formic acid 271.75
    diethyl ether 426.11
    m-xylene 235.81
    p-xylene 286.66
    chlorobenzene 650.02
    dimethyl carbonate 161.85
    n-octane 20.82
    formamide 383.86
    cyclopentanone 1152.32
    2-pentanone 537.52
    anisole 430.14
    cyclopentyl methyl ether 533.25
    gamma-butyrolactone 1139.69
    1-methoxy-2-propanol 640.18
    pyridine 1204.26
    3-pentanone 350.79
    furfural 1158.63
    n-dodecane 18.24
    diethylene glycol 471.67
    diisopropyl ether 107.93
    tert-amyl alcohol 535.65
    acetylacetone 527.17
    n-hexadecane 21.27
    acetophenone 437.97
    methyl propionate 381.54
    isopentyl acetate 423.89
    trichloroethylene 2247.62
    n-nonanol 178.55
    cyclohexanol 670.35
    benzyl alcohol 447.98
    2-ethylhexanol 283.9
    isooctanol 161.34
    dipropyl ether 222.68
    1,2-dichlorobenzene 580.49
    ethyl lactate 187.72
    propylene carbonate 615.24
    n-methylformamide 681.25
    2-pentanol 393.56
    n-pentane 61.09
    1-propoxy-2-propanol 472.24
    1-methoxy-2-propyl acetate 380.0
    2-(2-methoxypropoxy) propanol 357.58
    mesitylene 145.88
    ε-caprolactone 894.39
    p-cymene 125.42
    epichlorohydrin 1233.5
    1,1,1-trichloroethane 876.49
    2-aminoethanol 393.64
    morpholine-4-carbaldehyde 1087.32
    sulfolane 1312.96
    2,2,4-trimethylpentane 29.78
    2-methyltetrahydrofuran 864.13
    n-hexyl acetate 410.59
    isooctane 23.47
    2-(2-butoxyethoxy)ethanol 519.14
    sec-butyl acetate 256.91
    tert-butyl acetate 312.3
    decalin 67.58
    glycerin 341.88
    diglyme 970.62
    acrylic acid 529.66
    isopropyl myristate 142.72
    n-butyric acid 753.15
    acetyl acetate 319.85
    di(2-ethylhexyl) phthalate 164.15
    ethyl propionate 283.01
    nitromethane 1174.23
    1,2-diethoxyethane 458.69
    benzonitrile 620.04
    trioctyl phosphate 116.98
    1-bromopropane 572.35
    gamma-valerolactone 1280.45
    n-decanol 129.09
    triethyl phosphate 149.11
    4-methyl-2-pentanol 202.31
    propionitrile 486.94
    vinylene carbonate 656.69
    1,1,2-trichlorotrifluoroethane 907.61
    DMS 297.0
    cumene 136.37
    2-octanol 151.53
    2-hexanone 465.89
    octyl acetate 186.51
    limonene 198.09
    1,2-dimethoxyethane 928.94
    ethyl orthosilicate 140.98
    tributyl phosphate 150.85
    diacetone alcohol 404.27
    N,N-dimethylaniline 284.88
    acrylonitrile 671.19
    aniline 515.98
    1,3-propanediol 510.11
    bromobenzene 670.64
    dibromomethane 1065.83
    1,1,2,2-tetrachloroethane 1738.19
    2-methyl-cyclohexyl acetate 265.02
    tetrabutyl urea 212.76
    diisobutyl methanol 149.5
    2-phenylethanol 395.89
    styrene 334.58
    dioctyl adipate 231.94
    dimethyl sulfate 272.8
    ethyl butyrate 313.26
    methyl lactate 238.3
    butyl lactate 277.26
    diethyl carbonate 220.87
    propanediol butyl ether 423.56
    triethyl orthoformate 216.56
    p-tert-butyltoluene 114.75
    methyl 4-tert-butylbenzoate 296.52
    morpholine 1360.02
    tert-butylamine 435.74
    n-dodecanol 98.9
    dimethoxymethane 561.95
    ethylene carbonate 485.84
    cyrene 336.1
    2-ethoxyethyl acetate 384.95
    2-ethylhexyl acetate 330.44
    1,2,4-trichlorobenzene 673.5
    4-methylpyridine 1123.98
    dibutyl ether 242.7
    2,6-dimethyl-4-heptanol 149.5
    DEF 668.18
    dimethyl isosorbide 527.33
    tetrachloroethylene 1061.85
    eugenol 350.76
    triacetin 364.62
    span 80 381.58
    1,4-butanediol 245.32
    1,1-dichloroethane 980.62
    2-methyl-1-pentanol 397.51
    methyl formate 458.42
    2-methyl-1-butanol 451.7
    n-decane 29.88
    butyronitrile 629.28
    3,7-dimethyl-1-octanol 211.49
    1-chlorooctane 144.74
    1-chlorotetradecane 58.5
    n-nonane 29.84
    undecane 22.33
    tert-butylcyclohexane 51.26
    cyclooctane 45.16
    cyclopentanol 660.44
    tetrahydropyran 1117.7
    tert-amyl methyl ether 290.68
    2,5,8-trioxanonane 645.68
    1-hexene 304.4
    2-isopropoxyethanol 354.13
    2,2,2-trifluoroethanol 241.59
    methyl butyrate 463.85

    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