Methyl 5-methyl-2-furancarboxylate

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  • Identifiers

    CAS number
    2527-96-0

    Molecular formula
    C7H8O3

    SMILES
    CC1=CC=C(O1)C(=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 76.87%
    Sweet 62.12%
    Caramellic 61.28%
    Nutty 43.19%
    Burnt 40.43%
    Winey 34.52%
    Ethereal 33.64%
    Musty 33.35%
    Coffee 32.66%
    Earthy 32.27%

     

    Flavor
    Fruity 73.37%
    Sweet 67.38%
    Caramel 47.22%
    Tobacco 37.4%
    Grape 33.62%
    Musty 30.97%
    Creamy 30.61%
    Nutty 28.85%
    Powdery 27.78%
    Mushroom 26.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.44 (neutral)

    Molecular weight
    140.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 69.59 ˚C est.

  • Synonyms

    • methyl 5-methyl-2-furancarboxylate
    • RefChem:817135
    • methyl 5-methylfuran-2-carboxylate
    • 2527-96-0
    • Methyl 5-methyl-2-furoate
    • MFCD04116374
    • 2-Furancarboxylic acid, 5-methyl-, methyl ester
    • 5-Methylfuran-2-carboxylic acid methyl ester
    • Methyl5-methylfuran-2-carboxylate
    • SCHEMBL423503
    • SCHEMBL1505245
    • DTXSID40179921
    • Methyl 5-methyl-2-furoate, 97%
    • ALBB-026666
    • GEO-01875
    • AKOS000295902
    • CS-W005869
    • DS-4583
    • SB61463
    • SY101281
    • DB-046658
    • EN300-136837
    • Y10250
    • F013655
    • 2527-96-0

  • Applications

    Methyl 5-methyl-2-furancarboxylate is primarily used as a synthetic building block in fragrance and flavor chemistry, serving as an intermediate to access furanyl aroma compounds and related derivatives. It may be employed as an odorant in perfumery and as a precursor for flavor ingredients in the food and beverage sector. The compound is also evaluated as an intermediate in organic synthesis for pharmaceuticals, agrochemicals, and specialty polymers, enabling downstream access to heterocyclic furans. In cosmetics and personal care, it can appear as a fragrance component within formulations, subject to regulatory requirements. Additionally, it may be used as a starting material for research and development of furans-based materials for coatings or inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 330.32
    methanol 550.96
    isopropanol 229.28
    water 16.3
    ethyl acetate 128.87
    n-propanol 230.04
    acetone 288.71
    n-butanol 207.03
    acetonitrile 250.19
    DMF 713.95
    toluene 148.25
    isobutanol 165.57
    1,4-dioxane 402.14
    methyl acetate 210.45
    THF 335.4
    2-butanone 187.51
    n-pentanol 166.34
    sec-butanol 210.52
    n-hexane 13.9
    ethylene glycol 191.4
    NMP 327.49
    cyclohexane 39.16
    DMSO 525.79
    n-butyl acetate 77.12
    n-octanol 104.58
    chloroform 484.5
    n-propyl acetate 88.55
    acetic acid 243.26
    dichloromethane 565.77
    cyclohexanone 222.21
    propylene glycol 132.74
    isopropyl acetate 67.27
    DMAc 506.59
    2-ethoxyethanol 312.6
    isopentanol 148.26
    n-heptane 16.49
    ethyl formate 216.4
    1,2-dichloroethane 281.77
    n-hexanol 116.87
    2-methoxyethanol 578.13
    isobutyl acetate 51.71
    tetrachloromethane 83.08
    n-pentyl acetate 68.12
    transcutol 313.98
    n-heptanol 81.97
    ethylbenzene 95.98
    MIBK 78.92
    2-propoxyethanol 208.23
    tert-butanol 278.69
    MTBE 142.76
    2-butoxyethanol 137.11
    propionic acid 152.59
    o-xylene 120.1
    formic acid 210.0
    diethyl ether 127.45
    m-xylene 95.34
    p-xylene 142.08
    chlorobenzene 148.04
    dimethyl carbonate 107.14
    n-octane 12.55
    formamide 360.45
    cyclopentanone 225.3
    2-pentanone 126.85
    anisole 177.25
    cyclopentyl methyl ether 124.0
    gamma-butyrolactone 250.35
    1-methoxy-2-propanol 297.43
    pyridine 308.41
    3-pentanone 101.53
    furfural 362.21
    n-dodecane 14.58
    diethylene glycol 242.99
    diisopropyl ether 34.34
    tert-amyl alcohol 216.08
    acetylacetone 155.56
    n-hexadecane 16.32
    acetophenone 152.83
    methyl propionate 144.57
    isopentyl acetate 68.9
    trichloroethylene 478.71
    n-nonanol 91.8
    cyclohexanol 182.06
    benzyl alcohol 193.75
    2-ethylhexanol 75.94
    isooctanol 65.83
    dipropyl ether 62.99
    1,2-dichlorobenzene 153.88
    ethyl lactate 81.78
    propylene carbonate 154.44
    n-methylformamide 373.02
    2-pentanol 113.91
    n-pentane 18.24
    1-propoxy-2-propanol 125.35
    1-methoxy-2-propyl acetate 83.48
    2-(2-methoxypropoxy) propanol 139.33
    mesitylene 59.4
    ε-caprolactone 174.73
    p-cymene 55.62
    epichlorohydrin 345.74
    1,1,1-trichloroethane 221.94
    2-aminoethanol 228.22
    morpholine-4-carbaldehyde 392.36
    sulfolane 310.28
    2,2,4-trimethylpentane 15.69
    2-methyltetrahydrofuran 199.47
    n-hexyl acetate 107.75
    isooctane 9.59
    2-(2-butoxyethoxy)ethanol 170.72
    sec-butyl acetate 51.86
    tert-butyl acetate 79.1
    decalin 23.66
    glycerin 208.2
    diglyme 309.48
    acrylic acid 162.83
    isopropyl myristate 56.16
    n-butyric acid 161.17
    acetyl acetate 86.98
    di(2-ethylhexyl) phthalate 63.89
    ethyl propionate 84.38
    nitromethane 391.26
    1,2-diethoxyethane 107.29
    benzonitrile 196.93
    trioctyl phosphate 48.0
    1-bromopropane 152.11
    gamma-valerolactone 317.26
    n-decanol 72.23
    triethyl phosphate 59.07
    4-methyl-2-pentanol 64.17
    propionitrile 188.69
    vinylene carbonate 194.02
    1,1,2-trichlorotrifluoroethane 279.56
    DMS 89.72
    cumene 68.51
    2-octanol 67.38
    2-hexanone 96.02
    octyl acetate 72.5
    limonene 71.0
    1,2-dimethoxyethane 475.37
    ethyl orthosilicate 54.93
    tributyl phosphate 50.02
    diacetone alcohol 128.21
    N,N-dimethylaniline 149.16
    acrylonitrile 281.42
    aniline 180.3
    1,3-propanediol 274.59
    bromobenzene 159.13
    dibromomethane 326.85
    1,1,2,2-tetrachloroethane 363.78
    2-methyl-cyclohexyl acetate 73.62
    tetrabutyl urea 79.05
    diisobutyl methanol 52.2
    2-phenylethanol 128.39
    styrene 115.3
    dioctyl adipate 79.96
    dimethyl sulfate 164.59
    ethyl butyrate 82.72
    methyl lactate 115.76
    butyl lactate 68.61
    diethyl carbonate 75.22
    propanediol butyl ether 135.27
    triethyl orthoformate 65.21
    p-tert-butyltoluene 53.89
    methyl 4-tert-butylbenzoate 130.28
    morpholine 392.91
    tert-butylamine 163.9
    n-dodecanol 59.33
    dimethoxymethane 340.5
    ethylene carbonate 143.61
    cyrene 141.52
    2-ethoxyethyl acetate 87.56
    2-ethylhexyl acetate 54.26
    1,2,4-trichlorobenzene 172.07
    4-methylpyridine 287.2
    dibutyl ether 74.66
    2,6-dimethyl-4-heptanol 52.2
    DEF 203.1
    dimethyl isosorbide 173.49
    tetrachloroethylene 262.04
    eugenol 139.12
    triacetin 104.59
    span 80 109.38
    1,4-butanediol 139.59
    1,1-dichloroethane 247.93
    2-methyl-1-pentanol 131.31
    methyl formate 341.78
    2-methyl-1-butanol 148.43
    n-decane 20.51
    butyronitrile 198.33
    3,7-dimethyl-1-octanol 87.29
    1-chlorooctane 63.61
    1-chlorotetradecane 34.23
    n-nonane 19.24
    undecane 16.84
    tert-butylcyclohexane 20.28
    cyclooctane 14.32
    cyclopentanol 175.69
    tetrahydropyran 212.73
    tert-amyl methyl ether 117.83
    2,5,8-trioxanonane 249.84
    1-hexene 54.58
    2-isopropoxyethanol 173.69
    2,2,2-trifluoroethanol 117.66
    methyl butyrate 135.81

    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