Methyl 3-(2-furyl)propanoate

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  • Identifiers

    CAS number
    37493-31-5

    Molecular formula
    C8H10O3

    SMILES
    COC(=O)CCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 96.02%
    Sweet 69.15%
    Green 63.92%
    Pineapple 51.71%
    Floral 50.42%
    Caramellic 48.84%
    Apple 47.9%
    Tropical 45.88%
    Winey 42.7%
    Spicy 39.55%

     

    Flavor
    Fruity 88.8%
    Sweet 86.93%
    Pineapple 53.9%
    Banana 40.15%
    Green 39.17%
    Berry 37.46%
    Grape 35.82%
    Apple 33.56%
    Tropical 33.15%
    Coffee 32.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.17 (neutral)

    Molecular weight
    154.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    208°C

    Flash point

    • 82.53 ˚C est.

  • Synonyms

    • methyl 3-(2-furyl)propanoate
    • 37493-31-5
    • DTXSID50294639
    • methyl 3-(furan-2-yl)propanoate
    • NSC97519
    • methyl 3-(2-furyl)propionate
    • 2-(2'-carbomethoxyethyl)furan
    • SCHEMBL5883913
    • methyl 3-(furan-2-yl)propanate
    • DTXCID60245778
    • Methyl 3-(furan-2-yl)propionate
    • UXHQPGLQTVKTBI-UHFFFAOYSA-N
    • NSC-97519
    • AKOS008909720

  • Applications

    Methyl 3-(2-furyl)propanoate (CAS 37493-31-5) is a furyl-containing ester used primarily as a fragrance ingredient in perfumery and cosmetics, providing fruity to warm aroma notes. It is commonly employed as an intermediate in the synthesis of fragrance and flavor compounds for the food and consumer products industries. It may also be used in cosmetic and household formulations to impart odor, and in industrial manufacturing as a precursor for related fragrance and flavor derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 282.06
    methanol 597.87
    isopropanol 214.6
    water 23.07
    ethyl acetate 378.79
    n-propanol 185.8
    acetone 413.28
    n-butanol 170.71
    acetonitrile 577.6
    DMF 866.33
    toluene 169.13
    isobutanol 166.05
    1,4-dioxane 853.41
    methyl acetate 452.9
    THF 594.11
    2-butanone 302.45
    n-pentanol 119.06
    sec-butanol 179.17
    n-hexane 8.01
    ethylene glycol 117.31
    NMP 625.1
    cyclohexane 18.26
    DMSO 671.73
    n-butyl acetate 80.79
    n-octanol 41.92
    chloroform 723.9
    n-propyl acetate 129.12
    acetic acid 552.86
    dichloromethane 886.83
    cyclohexanone 311.29
    propylene glycol 85.43
    isopropyl acetate 183.15
    DMAc 1157.84
    2-ethoxyethanol 397.14
    isopentanol 178.84
    n-heptane 5.96
    ethyl formate 235.08
    1,2-dichloroethane 406.47
    n-hexanol 56.5
    2-methoxyethanol 638.73
    isobutyl acetate 82.53
    tetrachloromethane 67.52
    n-pentyl acetate 56.08
    transcutol 780.97
    n-heptanol 35.77
    ethylbenzene 75.15
    MIBK 123.18
    2-propoxyethanol 179.43
    tert-butanol 335.47
    MTBE 291.2
    2-butoxyethanol 110.39
    propionic acid 248.05
    o-xylene 117.75
    formic acid 502.46
    diethyl ether 250.91
    m-xylene 91.15
    p-xylene 112.33
    chlorobenzene 189.23
    dimethyl carbonate 224.76
    n-octane 3.61
    formamide 957.93
    cyclopentanone 350.68
    2-pentanone 181.0
    anisole 281.02
    cyclopentyl methyl ether 249.29
    gamma-butyrolactone 532.8
    1-methoxy-2-propanol 319.09
    pyridine 599.71
    3-pentanone 185.37
    furfural 645.09
    n-dodecane 4.49
    diethylene glycol 218.17
    diisopropyl ether 57.25
    tert-amyl alcohol 250.15
    acetylacetone 327.37
    n-hexadecane 5.1
    acetophenone 240.85
    methyl propionate 295.04
    isopentyl acetate 87.37
    trichloroethylene 820.67
    n-nonanol 41.82
    cyclohexanol 157.57
    benzyl alcohol 210.44
    2-ethylhexanol 41.93
    isooctanol 35.58
    dipropyl ether 59.46
    1,2-dichlorobenzene 184.92
    ethyl lactate 76.79
    propylene carbonate 249.68
    n-methylformamide 461.55
    2-pentanol 102.44
    n-pentane 9.24
    1-propoxy-2-propanol 93.85
    1-methoxy-2-propyl acetate 143.03
    2-(2-methoxypropoxy) propanol 173.02
    mesitylene 48.13
    ε-caprolactone 285.74
    p-cymene 31.75
    epichlorohydrin 696.09
    1,1,1-trichloroethane 308.02
    2-aminoethanol 210.94
    morpholine-4-carbaldehyde 851.04
    sulfolane 481.33
    2,2,4-trimethylpentane 11.45
    2-methyltetrahydrofuran 432.02
    n-hexyl acetate 90.59
    isooctane 5.12
    2-(2-butoxyethoxy)ethanol 203.72
    sec-butyl acetate 104.35
    tert-butyl acetate 186.84
    decalin 13.81
    glycerin 186.65
    diglyme 465.77
    acrylic acid 268.47
    isopropyl myristate 41.25
    n-butyric acid 283.4
    acetyl acetate 294.22
    di(2-ethylhexyl) phthalate 51.76
    ethyl propionate 151.5
    nitromethane 1275.07
    1,2-diethoxyethane 192.29
    benzonitrile 234.93
    trioctyl phosphate 26.03
    1-bromopropane 153.71
    gamma-valerolactone 621.99
    n-decanol 31.21
    triethyl phosphate 71.37
    4-methyl-2-pentanol 66.71
    propionitrile 281.31
    vinylene carbonate 281.84
    1,1,2-trichlorotrifluoroethane 463.15
    DMS 149.69
    cumene 48.81
    2-octanol 26.34
    2-hexanone 112.42
    octyl acetate 49.42
    limonene 42.59
    1,2-dimethoxyethane 614.93
    ethyl orthosilicate 69.01
    tributyl phosphate 41.0
    diacetone alcohol 189.51
    N,N-dimethylaniline 185.95
    acrylonitrile 399.15
    aniline 273.57
    1,3-propanediol 260.71
    bromobenzene 179.13
    dibromomethane 392.84
    1,1,2,2-tetrachloroethane 515.25
    2-methyl-cyclohexyl acetate 84.15
    tetrabutyl urea 58.74
    diisobutyl methanol 30.09
    2-phenylethanol 107.4
    styrene 110.74
    dioctyl adipate 73.55
    dimethyl sulfate 365.09
    ethyl butyrate 95.96
    methyl lactate 134.42
    butyl lactate 47.79
    diethyl carbonate 91.73
    propanediol butyl ether 95.95
    triethyl orthoformate 83.07
    p-tert-butyltoluene 30.38
    methyl 4-tert-butylbenzoate 130.11
    morpholine 840.36
    tert-butylamine 179.31
    n-dodecanol 24.5
    dimethoxymethane 495.71
    ethylene carbonate 212.12
    cyrene 177.33
    2-ethoxyethyl acetate 118.52
    2-ethylhexyl acetate 70.11
    1,2,4-trichlorobenzene 239.01
    4-methylpyridine 512.8
    dibutyl ether 65.77
    2,6-dimethyl-4-heptanol 30.09
    DEF 389.93
    dimethyl isosorbide 265.09
    tetrachloroethylene 368.21
    eugenol 128.42
    triacetin 151.09
    span 80 98.96
    1,4-butanediol 102.75
    1,1-dichloroethane 350.1
    2-methyl-1-pentanol 124.47
    methyl formate 362.1
    2-methyl-1-butanol 160.89
    n-decane 6.88
    butyronitrile 217.37
    3,7-dimethyl-1-octanol 51.94
    1-chlorooctane 28.49
    1-chlorotetradecane 14.1
    n-nonane 5.64
    undecane 5.33
    tert-butylcyclohexane 12.23
    cyclooctane 6.45
    cyclopentanol 170.73
    tetrahydropyran 386.98
    tert-amyl methyl ether 213.09
    2,5,8-trioxanonane 356.75
    1-hexene 38.18
    2-isopropoxyethanol 217.25
    2,2,2-trifluoroethanol 282.53
    methyl butyrate 190.76

    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