Methyl 2-furoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    611-13-2

    Molecular formula
    C6H6O3

    SMILES
    COC(=O)C1=CC=CO1

    Safety labels

    Acute Toxic
    Acute Toxic

    Retention indicies (RI)

    • Carbowax: 1568.33

  • Odor profile

    Fruity 89.82%
    Caramellic 64.35%
    Sweet 62.96%
    Burnt 45.5%
    Winey 44.95%
    Berry 37.87%
    Ethereal 37.72%
    Nutty 35.66%
    Coffee 35.49%
    Strawberry 33.8%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    126.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 181.00 to 182.00 °C. @ 760.00 mm Hg

    Flash point est.
    58.11 ˚C

    Solubility expt.

    • insoluble to slightly soluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • Methyl 2-furoate
    • 611-13-2
    • Methyl furan-2-carboxylate
    • Methyl pyromucate
    • Methyl 2-furancarboxylate
    • METHYL FUROATE
    • 2-Furancarboxylic acid, methyl ester
    • 2-(Methoxycarbonyl)furan
    • Pyromucic acid methyl ester
    • 2-FUROIC ACID, METHYL ESTER
    • Methyl 2-furylcarboxylate
    • 2-Furancarboxylic Acid Methyl Ester
    • FEMA No. 2703
    • Furoic acid, methyl ester
    • NSC 35551
    • CCRIS 2158
    • Furancarboxylic acid, methyl ester
    • UNII-O9A8D29YDE
    • 2-Furoic acid methyl ester
    • EINECS 210-254-6
    • O9A8D29YDE
    • MFCD00003236
    • Methyl alpha-furoate
    • BRN 0111110
    • AI3-23585
    • METHYL2-FUROATE
    • Methyl .alpha.-furoate
    • NSC-35551
    • METHYL FUROATE [FCC]
    • METHYL FUROATE [FHFI]
    • METHYL 2-FUROATE [MI]
    • DTXSID7060598
    • METHYL-2-FUROATE
    • 5-18-06-00103 (Beilstein Handbook Reference)
    • furan-2-carboxylic acid methyl ester
    • Furan-alpha-carboxylic acid methyl ester
    • Furan-.alpha.-carboxylic acid methyl ester
    • AH 22254X; Fluticasone furoate related; Methyl 2-furoate
    • 2-methyl furate
    • Methyl 2-furoate ,
    • Furoic acid methyl ester
    • Methylfuran-2-carboxylate
    • methyl uran-2-carboxylate
    • Methyl 2-furoate, 98%
    • WLN: T5OJ BVO1
    • SCHEMBL363937
    • DTXCID9042962
    • FEMA 2703
    • CHEBI:167081
    • Methyl 2-furoate, >=98%, FG
    • HY-Y0949
    • NSC35551
    • 2-furan carboxylic acid methyl ester
    • s5636
    • STK397389
    • AKOS000120062
    • CCG-266097
    • CS-W020101
    • FM14749
    • Methyl 2-furoate, natural, 99%, FG
    • AS-14803
    • DB-003714
    • F0075
    • NS00012896
    • EN300-15493
    • D78223
    • Q22083556
    • Z19719727
    • F0001-1604
    • 210-254-6

  • Applications

    Methyl 2-furoate (methyl furan-2-carboxylate, CAS 611-13-2) is a fruity, caramel-like aromatic ester employed widely as a flavor ingredient to recreate roasted coffee, chocolate, wine and ripe fruit notes in confectionery, beverages and sauces; in pharmaceuticals it serves as a key intermediate for the preparation of cephalosporin antibiotics, anti-inflammatory heterocycles and enzyme inhibitors, while in agrochemistry it is converted into furan-containing pesticides and plant growth regulators; in materials science the compound functions as a functional monomer for bio-based polyester, alkyd and epoxy resins, as a component of low-polarity solvents, thermally stable plasticizers and corrosion-inhibiting additives for petroleum fluids; finally, because it can be synthesized sustainably from biomass-derived furfural, methyl 2-furoate is increasingly studied in green chemistry and circular economy scenarios as a versatile, renewable building block.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 647.69
    methanol 1183.99
    isopropanol 363.73
    water 69.36
    ethyl acetate 576.33
    n-propanol 424.72
    acetone 1165.29
    n-butanol 296.19
    acetonitrile 1096.89
    DMF 1955.36
    toluene 148.8
    isobutanol 270.3
    1,4-dioxane 1090.14
    methyl acetate 801.87
    THF 840.23
    2-butanone 632.39
    n-pentanol 254.13
    sec-butanol 320.47
    n-hexane 26.16
    ethylene glycol 569.39
    NMP 1118.52
    cyclohexane 42.2
    DMSO 2067.32
    n-butyl acetate 228.09
    n-octanol 167.5
    chloroform 1075.67
    n-propyl acetate 387.1
    acetic acid 1182.03
    dichloromethane 1428.25
    cyclohexanone 634.48
    propylene glycol 329.64
    isopropyl acetate 259.28
    DMAc 983.83
    2-ethoxyethanol 882.25
    isopentanol 218.35
    n-heptane 24.2
    ethyl formate 590.11
    1,2-dichloroethane 901.24
    n-hexanol 166.76
    2-methoxyethanol 1327.67
    isobutyl acetate 175.69
    tetrachloromethane 165.0
    n-pentyl acetate 188.06
    transcutol 963.71
    n-heptanol 124.09
    ethylbenzene 110.31
    MIBK 237.19
    2-propoxyethanol 434.43
    tert-butanol 393.39
    MTBE 311.14
    2-butoxyethanol 292.13
    propionic acid 674.67
    o-xylene 125.45
    formic acid 1135.11
    diethyl ether 401.31
    m-xylene 113.8
    p-xylene 161.84
    chlorobenzene 345.08
    dimethyl carbonate 398.83
    n-octane 17.86
    formamide 1795.99
    cyclopentanone 796.65
    2-pentanone 415.17
    anisole 347.22
    cyclopentyl methyl ether 333.08
    gamma-butyrolactone 1177.61
    1-methoxy-2-propanol 694.04
    pyridine 771.04
    3-pentanone 346.94
    furfural 1151.71
    n-dodecane 19.03
    diethylene glycol 602.15
    diisopropyl ether 98.77
    tert-amyl alcohol 326.5
    acetylacetone 569.51
    n-hexadecane 21.67
    acetophenone 341.56
    methyl propionate 575.69
    isopentyl acetate 180.73
    trichloroethylene 1652.71
    n-nonanol 136.45
    cyclohexanol 259.29
    benzyl alcohol 333.08
    2-ethylhexanol 112.49
    isooctanol 107.58
    dipropyl ether 136.48
    1,2-dichlorobenzene 346.57
    ethyl lactate 252.07
    propylene carbonate 487.18
    n-methylformamide 1513.42
    2-pentanol 204.09
    n-pentane 29.49
    1-propoxy-2-propanol 258.19
    1-methoxy-2-propyl acetate 226.57
    2-(2-methoxypropoxy) propanol 255.66
    mesitylene 85.63
    ε-caprolactone 560.03
    p-cymene 69.79
    epichlorohydrin 1290.99
    1,1,1-trichloroethane 512.71
    2-aminoethanol 576.32
    morpholine-4-carbaldehyde 1150.7
    sulfolane 1426.2
    2,2,4-trimethylpentane 25.55
    2-methyltetrahydrofuran 561.44
    n-hexyl acetate 264.24
    isooctane 19.01
    2-(2-butoxyethoxy)ethanol 364.89
    sec-butyl acetate 193.5
    tert-butyl acetate 268.01
    decalin 28.91
    glycerin 621.09
    diglyme 772.84
    acrylic acid 824.33
    isopropyl myristate 106.69
    n-butyric acid 492.8
    acetyl acetate 324.48
    di(2-ethylhexyl) phthalate 98.08
    ethyl propionate 306.46
    nitromethane 2583.21
    1,2-diethoxyethane 293.85
    benzonitrile 452.79
    trioctyl phosphate 85.42
    1-bromopropane 308.12
    gamma-valerolactone 1134.12
    n-decanol 105.17
    triethyl phosphate 114.67
    4-methyl-2-pentanol 128.04
    propionitrile 578.35
    vinylene carbonate 574.79
    1,1,2-trichlorotrifluoroethane 913.37
    DMS 305.74
    cumene 85.24
    2-octanol 113.94
    2-hexanone 313.75
    octyl acetate 143.29
    limonene 93.76
    1,2-dimethoxyethane 997.31
    ethyl orthosilicate 103.58
    tributyl phosphate 99.49
    diacetone alcohol 348.59
    N,N-dimethylaniline 233.4
    acrylonitrile 968.33
    aniline 289.41
    1,3-propanediol 649.56
    bromobenzene 323.79
    dibromomethane 756.3
    1,1,2,2-tetrachloroethane 1019.78
    2-methyl-cyclohexyl acetate 149.19
    tetrabutyl urea 141.33
    diisobutyl methanol 82.55
    2-phenylethanol 199.67
    styrene 160.13
    dioctyl adipate 154.09
    dimethyl sulfate 668.96
    ethyl butyrate 189.89
    methyl lactate 364.88
    butyl lactate 169.72
    diethyl carbonate 148.91
    propanediol butyl ether 324.03
    triethyl orthoformate 136.31
    p-tert-butyltoluene 67.91
    methyl 4-tert-butylbenzoate 236.51
    morpholine 1041.22
    tert-butylamine 223.57
    n-dodecanol 83.9
    dimethoxymethane 892.4
    ethylene carbonate 422.98
    cyrene 305.32
    2-ethoxyethyl acetate 261.03
    2-ethylhexyl acetate 148.27
    1,2,4-trichlorobenzene 411.1
    4-methylpyridine 598.7
    dibutyl ether 149.11
    2,6-dimethyl-4-heptanol 82.55
    DEF 611.8
    dimethyl isosorbide 377.94
    tetrachloroethylene 782.84
    eugenol 258.43
    triacetin 293.83
    span 80 191.69
    1,4-butanediol 356.87
    1,1-dichloroethane 637.87
    2-methyl-1-pentanol 203.28
    methyl formate 1284.04
    2-methyl-1-butanol 220.33
    n-decane 28.56
    butyronitrile 434.34
    3,7-dimethyl-1-octanol 132.75
    1-chlorooctane 106.64
    1-chlorotetradecane 47.77
    n-nonane 27.86
    undecane 22.89
    tert-butylcyclohexane 28.95
    cyclooctane 20.31
    cyclopentanol 341.27
    tetrahydropyran 515.89
    tert-amyl methyl ether 234.93
    2,5,8-trioxanonane 474.97
    1-hexene 97.79
    2-isopropoxyethanol 459.5
    2,2,2-trifluoroethanol 532.67
    methyl butyrate 431.92

    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

Botanical

Name CAS Botanical Proportion
Tamarind 1 dried fruit Tamarindus indica L., fam. Leguminosae 0.01%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 0.01%