Furan-2-carboxylic acid heptyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    39251-87-1

    Molecular formula
    C12H18O3

    SMILES
    CCCCCCCOC(=O)C1=CC=CO1

  • Odor profile

    Fragrance
    Green 78.5%
    Fruity 69.68%
    Sweet 62.12%
    Waxy 60.15%
    Floral 55.88%
    Fatty 51.66%
    Oily 51.15%
    Herbal 42.96%
    Caramellic 42.71%
    Mushroom 42.68%

     

    Flavor
    Waxy 59.73%
    Oily 52.21%
    Fruity 46.68%
    Creamy 45.13%
    Mushroom 43.45%
    Green 40.34%
    Fatty 36.53%
    Earthy 35.8%
    Coconut 32.08%
    Sweet 31.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.16 (neutral)

    Molecular weight
    210.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point

    • 117.66 ˚C est.

  • Synonyms

    • furan-2-carboxylic acid heptyl ester
    • Heptyl 2-furoate #
    • 39251-87-1
    • Heptyl 2-furancarboxylate
    • ILSZSJQYHGISIK-UHFFFAOYSA-N
    • DTXSID701312445
    • 2-Furancarboxylic acid, heptyl ester

  • Applications

    Furan-2-carboxylic acid heptyl ester is primarily used as an intermediate in organic synthesis and as a building block for furan-based compounds. In industrial manufacturing, it may serve as a precursor for pharmaceuticals, agrochemicals, and specialty polymers. In the polymers and coatings sectors, it can act as a plasticizer or processing additive to modify the properties and processing of resins. In fragrance and perfumery, the furanic scaffold combined with a long alkyl chain may contribute distinctive odor notes and may be evaluated as an odorant or fixative in fragrance formulations. It may also function as a solvent or co-solvent in cleaning formulations and as a component in cosmetics/personal care products. Ultimately, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5192.26
    methanol 7599.11
    isopropanol 2664.63
    water 0.16
    ethyl acetate 5298.75
    n-propanol 3779.74
    acetone 8795.31
    n-butanol 2707.07
    acetonitrile 5754.06
    DMF 7803.4
    toluene 1741.96
    isobutanol 2519.07
    1,4-dioxane 2958.09
    methyl acetate 4499.42
    THF 4899.9
    2-butanone 5917.23
    n-pentanol 1536.11
    sec-butanol 2744.6
    n-hexane 102.47
    ethylene glycol 447.35
    NMP 5083.69
    cyclohexane 329.04
    DMSO 9563.23
    n-butyl acetate 2275.77
    n-octanol 419.26
    chloroform 6448.79
    n-propyl acetate 2329.09
    acetic acid 3245.59
    dichloromethane 9224.45
    cyclohexanone 6388.33
    propylene glycol 841.88
    isopropyl acetate 2346.95
    DMAc 4192.34
    2-ethoxyethanol 2122.65
    isopentanol 1971.79
    n-heptane 47.92
    ethyl formate 2497.99
    1,2-dichloroethane 7738.94
    n-hexanol 1113.81
    2-methoxyethanol 4671.26
    isobutyl acetate 1098.78
    tetrachloromethane 561.6
    n-pentyl acetate 1206.29
    transcutol 6187.8
    n-heptanol 402.6
    ethylbenzene 599.32
    MIBK 1735.66
    2-propoxyethanol 1901.13
    tert-butanol 2385.83
    MTBE 2641.55
    2-butoxyethanol 923.18
    propionic acid 2714.6
    o-xylene 804.03
    formic acid 915.84
    diethyl ether 3088.95
    m-xylene 837.49
    p-xylene 797.42
    chlorobenzene 2756.28
    dimethyl carbonate 1194.57
    n-octane 27.11
    formamide 2370.34
    cyclopentanone 6696.76
    2-pentanone 4711.9
    anisole 1462.11
    cyclopentyl methyl ether 2745.7
    gamma-butyrolactone 6055.19
    1-methoxy-2-propanol 3076.19
    pyridine 5361.07
    3-pentanone 3050.41
    furfural 4319.6
    n-dodecane 26.25
    diethylene glycol 1247.17
    diisopropyl ether 620.76
    tert-amyl alcohol 2220.04
    acetylacetone 3843.8
    n-hexadecane 32.1
    acetophenone 1574.23
    methyl propionate 4053.77
    isopentyl acetate 1760.29
    trichloroethylene 12174.5
    n-nonanol 356.06
    cyclohexanol 2308.87
    benzyl alcohol 1324.91
    2-ethylhexanol 572.25
    isooctanol 346.12
    dipropyl ether 689.89
    1,2-dichlorobenzene 2042.11
    ethyl lactate 704.12
    propylene carbonate 2601.1
    n-methylformamide 4646.51
    2-pentanol 1669.81
    n-pentane 114.89
    1-propoxy-2-propanol 1326.02
    1-methoxy-2-propyl acetate 1637.2
    2-(2-methoxypropoxy) propanol 798.21
    mesitylene 446.05
    ε-caprolactone 4407.51
    p-cymene 276.85
    epichlorohydrin 7650.21
    1,1,1-trichloroethane 4469.0
    2-aminoethanol 1447.93
    morpholine-4-carbaldehyde 3287.81
    sulfolane 5892.57
    2,2,4-trimethylpentane 88.22
    2-methyltetrahydrofuran 4095.06
    n-hexyl acetate 1416.32
    isooctane 63.48
    2-(2-butoxyethoxy)ethanol 1308.92
    sec-butyl acetate 1308.26
    tert-butyl acetate 1904.43
    decalin 121.78
    glycerin 789.93
    diglyme 2608.14
    acrylic acid 2216.74
    isopropyl myristate 393.33
    n-butyric acid 4079.09
    acetyl acetate 2075.93
    di(2-ethylhexyl) phthalate 345.83
    ethyl propionate 1870.27
    nitromethane 7765.97
    1,2-diethoxyethane 2017.2
    benzonitrile 2071.54
    trioctyl phosphate 244.53
    1-bromopropane 3719.72
    gamma-valerolactone 5861.07
    n-decanol 246.54
    triethyl phosphate 376.79
    4-methyl-2-pentanol 662.67
    propionitrile 3778.53
    vinylene carbonate 2336.29
    1,1,2-trichlorotrifluoroethane 3609.57
    DMS 1281.79
    cumene 334.16
    2-octanol 312.47
    2-hexanone 2086.02
    octyl acetate 521.6
    limonene 482.08
    1,2-dimethoxyethane 3100.07
    ethyl orthosilicate 354.6
    tributyl phosphate 352.34
    diacetone alcohol 1900.06
    N,N-dimethylaniline 693.9
    acrylonitrile 5148.93
    aniline 2126.32
    1,3-propanediol 2002.77
    bromobenzene 3037.73
    dibromomethane 5708.25
    1,1,2,2-tetrachloroethane 7713.56
    2-methyl-cyclohexyl acetate 740.8
    tetrabutyl urea 506.77
    diisobutyl methanol 312.67
    2-phenylethanol 954.9
    styrene 1010.96
    dioctyl adipate 565.05
    dimethyl sulfate 1572.39
    ethyl butyrate 1189.14
    methyl lactate 1192.43
    butyl lactate 809.68
    diethyl carbonate 710.1
    propanediol butyl ether 941.87
    triethyl orthoformate 572.92
    p-tert-butyltoluene 254.26
    methyl 4-tert-butylbenzoate 777.13
    morpholine 5037.93
    tert-butylamine 1375.9
    n-dodecanol 179.94
    dimethoxymethane 3288.4
    ethylene carbonate 2010.74
    cyrene 813.21
    2-ethoxyethyl acetate 1689.21
    2-ethylhexyl acetate 1195.86
    1,2,4-trichlorobenzene 2331.63
    4-methylpyridine 4996.75
    dibutyl ether 734.36
    2,6-dimethyl-4-heptanol 312.67
    DEF 4679.86
    dimethyl isosorbide 1289.77
    tetrachloroethylene 4485.86
    eugenol 781.28
    triacetin 1070.42
    span 80 672.84
    1,4-butanediol 668.62
    1,1-dichloroethane 6593.4
    2-methyl-1-pentanol 1225.74
    methyl formate 2717.45
    2-methyl-1-butanol 2151.85
    n-decane 44.56
    butyronitrile 3543.22
    3,7-dimethyl-1-octanol 514.16
    1-chlorooctane 349.08
    1-chlorotetradecane 114.16
    n-nonane 41.71
    undecane 32.81
    tert-butylcyclohexane 92.36
    cyclooctane 74.35
    cyclopentanol 2220.52
    tetrahydropyran 4358.77
    tert-amyl methyl ether 1595.22
    2,5,8-trioxanonane 1420.88
    1-hexene 720.62
    2-isopropoxyethanol 1318.52
    2,2,2-trifluoroethanol 805.5
    methyl butyrate 2851.91

    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