3-Methylbutyl 3-(3-furyl)acrylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93859-17-7

    Molecular formula
    C12H16O3

    SMILES
    CC(C)CCOC(=O)/C=C/C1=COC=C1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 80.75%
    Sweet 52.78%
    Balsamic 50.1%
    Caramellic 46.31%
    Herbal 42.65%
    Apple 41.9%
    Woody 40.05%
    Green 38.1%
    Floral 36.85%
    Berry 36.3%

     

    Flavor
    Fruity 42.35%
    Herbal 23.97%
    Floral 22.11%
    Ethyl benzoate 20.19%
    Genet 20.06%
    Broom 19.92%
    Woody 19.87%
    Heather 19.86%
    Musty 19.71%
    Lovage 19.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    5.91 (weak acid)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point

    • 117.97 ˚C est.

  • Synonyms

    • 3-Methylbutyl 3-(3-furyl)acrylate
    • 93859-17-7
    • Isopentyl 3-(furan-3-yl)acrylate
    • EINECS 299-353-3
    • XKXQGYBDCCQWPU-ONEGZZNKSA-N
    • NS00062905
    • 93859-17-7

  • Applications

    3-Methylbutyl 3-(3-furyl)acrylate is primarily used as a reactive monomer in polymer and coating formulations. In practice, it is employed in UV/EB-curable coatings, inks, and adhesives to enable rapid curing and network formation. It also serves as a building block in specialty polymers and resin systems where the furyl functionality helps tune a material’s properties and provides a handle for post-functionalization or crosslinking (for example via furyl–Diels–Alder chemistry). The ester’s isoamyl moiety contributes to solvency and compatibility in formulated systems, making it of interest for coatings and adhesive applications in electronics, packaging, and related industrial contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 561.31
    methanol 801.08
    isopropanol 257.49
    water 0.2
    ethyl acetate 429.06
    n-propanol 296.72
    acetone 536.35
    n-butanol 265.39
    acetonitrile 362.54
    DMF 522.73
    toluene 148.67
    isobutanol 188.42
    1,4-dioxane 475.23
    methyl acetate 376.66
    THF 746.59
    2-butanone 441.62
    n-pentanol 177.41
    sec-butanol 233.77
    n-hexane 6.28
    ethylene glycol 67.35
    NMP 402.93
    cyclohexane 18.01
    DMSO 666.22
    n-butyl acetate 209.8
    n-octanol 62.17
    chloroform 918.79
    n-propyl acetate 210.54
    acetic acid 456.81
    dichloromethane 887.19
    cyclohexanone 438.6
    propylene glycol 158.15
    isopropyl acetate 222.04
    DMAc 641.62
    2-ethoxyethanol 304.68
    isopentanol 219.47
    n-heptane 5.03
    ethyl formate 181.75
    1,2-dichloroethane 544.74
    n-hexanol 155.08
    2-methoxyethanol 616.28
    isobutyl acetate 145.63
    tetrachloromethane 47.99
    n-pentyl acetate 100.07
    transcutol 1313.54
    n-heptanol 57.9
    ethylbenzene 74.66
    MIBK 200.92
    2-propoxyethanol 306.95
    tert-butanol 304.24
    MTBE 254.59
    2-butoxyethanol 147.19
    propionic acid 246.69
    o-xylene 94.61
    formic acid 137.9
    diethyl ether 255.14
    m-xylene 102.26
    p-xylene 106.85
    chlorobenzene 222.78
    dimethyl carbonate 131.53
    n-octane 2.67
    formamide 261.56
    cyclopentanone 495.73
    2-pentanone 321.06
    anisole 217.21
    cyclopentyl methyl ether 279.25
    gamma-butyrolactone 517.0
    1-methoxy-2-propanol 440.6
    pyridine 475.48
    3-pentanone 228.94
    furfural 443.32
    n-dodecane 3.82
    diethylene glycol 273.17
    diisopropyl ether 63.94
    tert-amyl alcohol 259.25
    acetylacetone 398.39
    n-hexadecane 4.41
    acetophenone 219.75
    methyl propionate 299.72
    isopentyl acetate 209.25
    trichloroethylene 1118.83
    n-nonanol 59.89
    cyclohexanol 213.08
    benzyl alcohol 188.61
    2-ethylhexanol 86.07
    isooctanol 52.68
    dipropyl ether 80.46
    1,2-dichlorobenzene 195.26
    ethyl lactate 115.98
    propylene carbonate 298.72
    n-methylformamide 248.21
    2-pentanol 163.95
    n-pentane 6.02
    1-propoxy-2-propanol 208.19
    1-methoxy-2-propyl acetate 257.57
    2-(2-methoxypropoxy) propanol 235.6
    mesitylene 60.61
    ε-caprolactone 357.53
    p-cymene 48.95
    epichlorohydrin 735.64
    1,1,1-trichloroethane 356.32
    2-aminoethanol 193.99
    morpholine-4-carbaldehyde 466.96
    sulfolane 521.02
    2,2,4-trimethylpentane 10.22
    2-methyltetrahydrofuran 484.65
    n-hexyl acetate 160.62
    isooctane 7.48
    2-(2-butoxyethoxy)ethanol 317.63
    sec-butyl acetate 153.49
    tert-butyl acetate 234.29
    decalin 13.06
    glycerin 182.32
    diglyme 534.68
    acrylic acid 213.72
    isopropyl myristate 66.62
    n-butyric acid 336.37
    acetyl acetate 241.58
    di(2-ethylhexyl) phthalate 82.15
    ethyl propionate 182.91
    nitromethane 691.69
    1,2-diethoxyethane 254.13
    benzonitrile 203.16
    trioctyl phosphate 48.78
    1-bromopropane 223.32
    gamma-valerolactone 542.88
    n-decanol 45.21
    triethyl phosphate 83.21
    4-methyl-2-pentanol 96.38
    propionitrile 230.83
    vinylene carbonate 272.31
    1,1,2-trichlorotrifluoroethane 468.83
    DMS 187.72
    cumene 53.77
    2-octanol 39.62
    2-hexanone 208.2
    octyl acetate 85.2
    limonene 69.08
    1,2-dimethoxyethane 431.33
    ethyl orthosilicate 78.2
    tributyl phosphate 69.03
    diacetone alcohol 292.53
    N,N-dimethylaniline 135.66
    acrylonitrile 296.85
    aniline 210.84
    1,3-propanediol 275.74
    bromobenzene 223.62
    dibromomethane 470.57
    1,1,2,2-tetrachloroethane 788.3
    2-methyl-cyclohexyl acetate 143.64
    tetrabutyl urea 87.6
    diisobutyl methanol 55.39
    2-phenylethanol 165.68
    styrene 99.23
    dioctyl adipate 121.18
    dimethyl sulfate 184.58
    ethyl butyrate 150.93
    methyl lactate 162.6
    butyl lactate 104.9
    diethyl carbonate 117.53
    propanediol butyl ether 184.57
    triethyl orthoformate 109.51
    p-tert-butyltoluene 47.02
    methyl 4-tert-butylbenzoate 163.95
    morpholine 682.77
    tert-butylamine 150.37
    n-dodecanol 35.0
    dimethoxymethane 380.95
    ethylene carbonate 216.79
    cyrene 200.48
    2-ethoxyethyl acetate 194.46
    2-ethylhexyl acetate 153.43
    1,2,4-trichlorobenzene 251.3
    4-methylpyridine 402.97
    dibutyl ether 83.53
    2,6-dimethyl-4-heptanol 55.39
    DEF 317.96
    dimethyl isosorbide 327.13
    tetrachloroethylene 407.67
    eugenol 165.14
    triacetin 224.51
    span 80 171.82
    1,4-butanediol 92.99
    1,1-dichloroethane 487.49
    2-methyl-1-pentanol 169.51
    methyl formate 171.37
    2-methyl-1-butanol 191.87
    n-decane 5.32
    butyronitrile 227.39
    3,7-dimethyl-1-octanol 81.4
    1-chlorooctane 39.09
    1-chlorotetradecane 17.63
    n-nonane 4.34
    undecane 4.39
    tert-butylcyclohexane 12.6
    cyclooctane 5.24
    cyclopentanol 204.82
    tetrahydropyran 429.87
    tert-amyl methyl ether 177.09
    2,5,8-trioxanonane 407.57
    1-hexene 51.74
    2-isopropoxyethanol 211.84
    2,2,2-trifluoroethanol 107.16
    methyl butyrate 243.85

    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