Methyl 3-methyl-2-furoate

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  • Identifiers

    CAS number
    6141-57-7

    Molecular formula
    C7H8O3

    SMILES
    CC1=C(OC=C1)C(=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 79.1%
    Caramellic 61.75%
    Sweet 53.42%
    Burnt 42.66%
    Nutty 42.27%
    Roasted 35.0%
    Berry 34.61%
    Coffee 32.86%
    Strawberry 31.29%
    Musty 29.68%

     

    Flavor
    Fruity 69.84%
    Sweet 58.13%
    Caramel 44.83%
    Tobacco 37.98%
    Grape 32.71%
    Musty 28.4%
    Creamy 27.99%
    Powdery 26.57%
    Nutty 26.43%
    Mushroom 26.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.55 (weak acid)

    Molecular weight
    140.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    212°C

    Flash point

    • 70.13 ˚C est.

  • Synonyms

    • Methyl 3-methyl-2-furoate
    • 6141-57-7
    • methyl 3-methyl-2-furancarboxylate
    • RefChem:815562
    • 228-131-0
    • EINECS 228-131-0
    • NSC 508754
    • methyl 3-methylfuran-2-carboxylate
    • Methyl 3-methylfuroate
    • MFCD00014110
    • 3-methyl-furan-2-carboxylic acid methyl ester
    • Furancarboxylic acid, methyl-, methyl ester
    • 3-Methyl-2-furancarboxylic Acid Methyl Ester
    • 2-Furoic acid, 3-methyl-, methyl ester
    • methyl-3-methyl-2-furoate
    • NCIOpen2_003734
    • 2-Furancarboxylic acid, 3-methyl-, methyl ester
    • SCHEMBL43076
    • orb3030571
    • SCHEMBL26622083
    • DTXSID10976969
    • methyl3-methylfuran-2-carboxylate
    • Methyl 3-methyl-2-furoate, 96%
    • GEO-01874
    • NSC508754
    • SBB069525
    • STL370588
    • 3-Methyl-2-furoic Acid Methyl Ester
    • 3-methyl-2-furoic acid, methyl ester
    • AKOS004910609
    • CS-W001241
    • NSC-508754
    • AC-26703
    • SY048278
    • TS-01822
    • DB-053873
    • M2377
    • NS00045561
    • ST50307823
    • EN300-43243
    • F16312
    • 141M577
    • F013654
    • Z209835796
    • 6141-57-7

  • Applications

    Methyl 3-methyl-2-furoate (CAS 6141-57-7) is typically used as an aroma ingredient and odorant in the fragrance industry, contributing green and fruity notes, and may serve as a flavor ingredient in certain formulations. It is often evaluated as an intermediate in the synthesis of aroma chemicals and other specialty esters for industrial applications. In cosmetics and personal care, it can function as a fragrance component in perfumes, lotions, and hair care products. In household and cleaning products, it may be employed as a fragrance additive in detergents, cleaners, and air fresheners. In industrial manufacturing, it can act as a building block for the synthesis of related furan-based esters and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 986.84
    methanol 1338.15
    isopropanol 661.88
    water 63.93
    ethyl acetate 790.97
    n-propanol 713.52
    acetone 1532.45
    n-butanol 504.5
    acetonitrile 1385.09
    DMF 2226.41
    toluene 198.81
    isobutanol 472.67
    1,4-dioxane 1609.71
    methyl acetate 1119.01
    THF 1292.5
    2-butanone 957.97
    n-pentanol 402.51
    sec-butanol 619.21
    n-hexane 38.22
    ethylene glycol 711.09
    NMP 1048.78
    cyclohexane 54.48
    DMSO 1850.27
    n-butyl acetate 287.29
    n-octanol 228.73
    chloroform 1605.94
    n-propyl acetate 464.64
    acetic acid 1417.67
    dichloromethane 1877.29
    cyclohexanone 840.46
    propylene glycol 521.56
    isopropyl acetate 371.56
    DMAc 989.0
    2-ethoxyethanol 1099.74
    isopentanol 375.5
    n-heptane 26.38
    ethyl formate 810.93
    1,2-dichloroethane 1125.83
    n-hexanol 265.7
    2-methoxyethanol 1876.04
    isobutyl acetate 224.17
    tetrachloromethane 257.2
    n-pentyl acetate 250.13
    transcutol 929.11
    n-heptanol 187.92
    ethylbenzene 154.55
    MIBK 322.95
    2-propoxyethanol 587.01
    tert-butanol 721.43
    MTBE 509.88
    2-butoxyethanol 398.99
    propionic acid 908.66
    o-xylene 161.66
    formic acid 1124.14
    diethyl ether 547.06
    m-xylene 163.77
    p-xylene 245.23
    chlorobenzene 443.7
    dimethyl carbonate 532.82
    n-octane 22.86
    formamide 2018.6
    cyclopentanone 1079.31
    2-pentanone 639.06
    anisole 435.23
    cyclopentyl methyl ether 473.63
    gamma-butyrolactone 1586.9
    1-methoxy-2-propanol 1019.01
    pyridine 977.59
    3-pentanone 470.19
    furfural 1357.52
    n-dodecane 22.61
    diethylene glycol 709.53
    diisopropyl ether 137.76
    tert-amyl alcohol 586.12
    acetylacetone 834.78
    n-hexadecane 25.81
    acetophenone 399.14
    methyl propionate 785.51
    isopentyl acetate 239.06
    trichloroethylene 2155.94
    n-nonanol 187.12
    cyclohexanol 413.44
    benzyl alcohol 424.7
    2-ethylhexanol 149.54
    isooctanol 162.48
    dipropyl ether 155.37
    1,2-dichlorobenzene 433.61
    ethyl lactate 300.25
    propylene carbonate 711.66
    n-methylformamide 1819.07
    2-pentanol 363.66
    n-pentane 40.58
    1-propoxy-2-propanol 333.78
    1-methoxy-2-propyl acetate 286.95
    2-(2-methoxypropoxy) propanol 284.65
    mesitylene 117.88
    ε-caprolactone 730.46
    p-cymene 83.47
    epichlorohydrin 1727.57
    1,1,1-trichloroethane 813.15
    2-aminoethanol 810.6
    morpholine-4-carbaldehyde 1230.84
    sulfolane 1516.75
    2,2,4-trimethylpentane 33.17
    2-methyltetrahydrofuran 888.29
    n-hexyl acetate 345.02
    isooctane 25.45
    2-(2-butoxyethoxy)ethanol 421.73
    sec-butyl acetate 238.37
    tert-butyl acetate 387.31
    decalin 38.35
    glycerin 835.37
    diglyme 826.23
    acrylic acid 1026.57
    isopropyl myristate 128.24
    n-butyric acid 755.04
    acetyl acetate 434.33
    di(2-ethylhexyl) phthalate 124.69
    ethyl propionate 394.43
    nitromethane 2920.69
    1,2-diethoxyethane 329.84
    benzonitrile 515.12
    trioctyl phosphate 109.07
    1-bromopropane 432.78
    gamma-valerolactone 1457.17
    n-decanol 143.07
    triethyl phosphate 131.71
    4-methyl-2-pentanol 193.22
    propionitrile 748.08
    vinylene carbonate 817.95
    1,1,2-trichlorotrifluoroethane 1250.54
    DMS 364.93
    cumene 114.35
    2-octanol 170.56
    2-hexanone 403.06
    octyl acetate 181.69
    limonene 109.47
    1,2-dimethoxyethane 1319.41
    ethyl orthosilicate 119.92
    tributyl phosphate 120.34
    diacetone alcohol 512.14
    N,N-dimethylaniline 258.43
    acrylonitrile 1245.5
    aniline 413.88
    1,3-propanediol 964.92
    bromobenzene 413.19
    dibromomethane 995.86
    1,1,2,2-tetrachloroethane 1467.18
    2-methyl-cyclohexyl acetate 182.88
    tetrabutyl urea 160.16
    diisobutyl methanol 103.83
    2-phenylethanol 281.73
    styrene 202.92
    dioctyl adipate 173.07
    dimethyl sulfate 794.71
    ethyl butyrate 213.5
    methyl lactate 479.59
    butyl lactate 210.68
    diethyl carbonate 171.68
    propanediol butyl ether 417.0
    triethyl orthoformate 152.62
    p-tert-butyltoluene 86.73
    methyl 4-tert-butylbenzoate 293.59
    morpholine 1552.34
    tert-butylamine 378.36
    n-dodecanol 110.28
    dimethoxymethane 1160.96
    ethylene carbonate 608.87
    cyrene 351.65
    2-ethoxyethyl acetate 333.98
    2-ethylhexyl acetate 186.48
    1,2,4-trichlorobenzene 521.09
    4-methylpyridine 761.93
    dibutyl ether 176.98
    2,6-dimethyl-4-heptanol 103.83
    DEF 719.56
    dimethyl isosorbide 428.44
    tetrachloroethylene 1077.46
    eugenol 320.1
    triacetin 323.2
    span 80 244.32
    1,4-butanediol 462.29
    1,1-dichloroethane 927.7
    2-methyl-1-pentanol 300.01
    methyl formate 1636.35
    2-methyl-1-butanol 389.98
    n-decane 35.75
    butyronitrile 603.78
    3,7-dimethyl-1-octanol 171.04
    1-chlorooctane 137.9
    1-chlorotetradecane 57.88
    n-nonane 34.8
    undecane 28.03
    tert-butylcyclohexane 38.0
    cyclooctane 22.99
    cyclopentanol 563.71
    tetrahydropyran 830.77
    tert-amyl methyl ether 346.02
    2,5,8-trioxanonane 480.52
    1-hexene 148.19
    2-isopropoxyethanol 578.92
    2,2,2-trifluoroethanol 698.56
    methyl butyrate 558.02

    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