Octyl 2-furoate

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  • Identifiers

    CAS number
    39251-88-2

    Molecular formula
    C13H20O3

    SMILES
    CCCCCCCCOC(=O)C1=CC=CO1

  • Odor profile

    Fragrance
    Green 65.33%
    Fatty 61.02%
    Waxy 60.79%
    Fruity 56.62%
    Sweet 55.64%
    Oily 53.42%
    Floral 48.93%
    Earthy 40.85%
    Mushroom 40.69%
    Caramellic 39.93%

     

    Flavor
    Waxy 62.66%
    Oily 55.13%
    Creamy 47.06%
    Fruity 44.73%
    Mushroom 43.48%
    Fatty 39.94%
    Green 37.0%
    Earthy 34.62%
    Coconut 33.2%
    Soapy 30.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    6.12 (neutral)

    Molecular weight
    224.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 126.00 to 127.00 °C. @ 1.00 mm Hg

    Flash point

    • 125.91 ˚C est.

    Solubility expt.

    • insoluble in water; miscible in fat
    • miscible (in ethanol)

  • Synonyms

    • Octyl 2-furoate
    • 39251-88-2
    • octyl furan-2-carboxylate
    • n-Octyl 2-Furancarboxylate
    • Octyl 2-furancarboxylate
    • 2-Furancarboxylic acid, octyl ester
    • FEMA 3518
    • UNII-FO88UQ934J
    • FEMA No. 3518
    • FO88UQ934J
    • EINECS 254-378-9
    • OCTYL 2-FUROATE [FHFI]
    • DTXSID30192503
    • 2-Furancarboxylic acid, n.-octyl ester
    • n-Octyl 2-Furoate
    • MFCD00209524
    • octyl uran-2-carboxylate
    • 1-octyl furan-2-carboxylate
    • Octyl 2-furoate, AldrichCPR
    • 2-Furoic Acid n-Octyl Ester
    • SCHEMBL3506021
    • DTXCID00114994
    • CHEBI:174156
    • furan-2-carboxylic acid octyl ester
    • 2-Furancarboxylic Acid n-Octyl Ester
    • SB60982
    • CS-0152154
    • F0458
    • NS00022139
    • D81913
    • Q27278101
    • 254-378-9

  • Applications

    Octyl 2-furoate (CAS 39251-88-2) is a lipophilic furoate ester commonly used in fragrance chemistry as an odorant and fragrance ingredient, with potential minor fixation properties in perfumery; it can also serve as a carrier solvent for aroma formulations. In cosmetics and personal care, it is evaluated as a fragrance component in products such as lotions and shampoos. In household products, it may be employed as a scent additive in air fresheners and scented cleaners. In industrial manufacturing, it may function as a solvent or processing aid in fragrance formulations and, as an aroma precursor, can be used in the synthesis of other aroma compounds. In polymers/plastics, it may be considered as a minor additive or processing modifier in specialty applications where fragrance release is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6446.9
    methanol 8613.15
    isopropanol 3747.46
    water 0.15
    ethyl acetate 6936.1
    n-propanol 4806.04
    acetone 11502.15
    n-butanol 3418.27
    acetonitrile 7079.32
    DMF 8593.74
    toluene 2108.4
    isobutanol 3259.24
    1,4-dioxane 3941.07
    methyl acetate 5619.35
    THF 6406.48
    2-butanone 7564.86
    n-pentanol 1912.96
    sec-butanol 3563.83
    n-hexane 146.32
    ethylene glycol 422.46
    NMP 5475.23
    cyclohexane 538.91
    DMSO 9731.23
    n-butyl acetate 2780.38
    n-octanol 519.64
    chloroform 7510.46
    n-propyl acetate 3004.55
    acetic acid 3550.34
    dichloromethane 10478.12
    cyclohexanone 8337.39
    propylene glycol 880.38
    isopropyl acetate 3147.62
    DMAc 4786.77
    2-ethoxyethanol 2517.88
    isopentanol 2502.28
    n-heptane 68.26
    ethyl formate 3021.56
    1,2-dichloroethane 9053.63
    n-hexanol 1321.56
    2-methoxyethanol 5191.26
    isobutyl acetate 1454.04
    tetrachloromethane 761.94
    n-pentyl acetate 1593.65
    transcutol 6591.32
    n-heptanol 508.29
    ethylbenzene 725.67
    MIBK 2196.76
    2-propoxyethanol 2200.62
    tert-butanol 3188.37
    MTBE 3707.99
    2-butoxyethanol 1128.08
    propionic acid 3163.55
    o-xylene 953.48
    formic acid 840.22
    diethyl ether 4277.19
    m-xylene 993.44
    p-xylene 978.21
    chlorobenzene 3122.6
    dimethyl carbonate 1368.19
    n-octane 38.84
    formamide 2280.15
    cyclopentanone 8189.84
    2-pentanone 6027.19
    anisole 1699.02
    cyclopentyl methyl ether 3545.6
    gamma-butyrolactone 7212.61
    1-methoxy-2-propanol 3578.23
    pyridine 6613.4
    3-pentanone 3861.92
    furfural 4647.73
    n-dodecane 33.88
    diethylene glycol 1284.78
    diisopropyl ether 856.74
    tert-amyl alcohol 2849.71
    acetylacetone 4711.05
    n-hexadecane 41.58
    acetophenone 1786.99
    methyl propionate 4968.07
    isopentyl acetate 2164.1
    trichloroethylene 13444.99
    n-nonanol 444.04
    cyclohexanol 3023.96
    benzyl alcohol 1486.44
    2-ethylhexanol 684.93
    isooctanol 435.52
    dipropyl ether 946.27
    1,2-dichlorobenzene 2273.45
    ethyl lactate 826.11
    propylene carbonate 3078.64
    n-methylformamide 5059.8
    2-pentanol 2217.74
    n-pentane 166.5
    1-propoxy-2-propanol 1573.56
    1-methoxy-2-propyl acetate 1925.77
    2-(2-methoxypropoxy) propanol 865.36
    mesitylene 552.13
    ε-caprolactone 5748.49
    p-cymene 329.64
    epichlorohydrin 8924.35
    1,1,1-trichloroethane 5598.44
    2-aminoethanol 1534.47
    morpholine-4-carbaldehyde 3684.8
    sulfolane 6610.18
    2,2,4-trimethylpentane 112.83
    2-methyltetrahydrofuran 5573.0
    n-hexyl acetate 1777.67
    isooctane 82.24
    2-(2-butoxyethoxy)ethanol 1433.29
    sec-butyl acetate 1706.93
    tert-butyl acetate 2458.72
    decalin 159.7
    glycerin 785.29
    diglyme 3012.82
    acrylic acid 2335.7
    isopropyl myristate 478.61
    n-butyric acid 4996.3
    acetyl acetate 2544.54
    di(2-ethylhexyl) phthalate 391.33
    ethyl propionate 2426.57
    nitromethane 8821.43
    1,2-diethoxyethane 2472.14
    benzonitrile 2351.47
    trioctyl phosphate 283.42
    1-bromopropane 4626.94
    gamma-valerolactone 7219.25
    n-decanol 301.26
    triethyl phosphate 449.34
    4-methyl-2-pentanol 824.15
    propionitrile 4855.42
    vinylene carbonate 2735.18
    1,1,2-trichlorotrifluoroethane 3908.42
    DMS 1475.16
    cumene 397.09
    2-octanol 404.06
    2-hexanone 2628.8
    octyl acetate 630.32
    limonene 587.39
    1,2-dimethoxyethane 3901.42
    ethyl orthosilicate 424.55
    tributyl phosphate 410.7
    diacetone alcohol 2246.08
    N,N-dimethylaniline 791.06
    acrylonitrile 6005.96
    aniline 2455.88
    1,3-propanediol 2226.27
    bromobenzene 3463.02
    dibromomethane 6646.73
    1,1,2,2-tetrachloroethane 8708.83
    2-methyl-cyclohexyl acetate 898.6
    tetrabutyl urea 587.46
    diisobutyl methanol 380.56
    2-phenylethanol 1068.1
    styrene 1212.19
    dioctyl adipate 661.86
    dimethyl sulfate 1705.86
    ethyl butyrate 1479.29
    methyl lactate 1337.11
    butyl lactate 973.32
    diethyl carbonate 864.49
    propanediol butyl ether 1033.04
    triethyl orthoformate 717.94
    p-tert-butyltoluene 300.76
    methyl 4-tert-butylbenzoate 912.1
    morpholine 6506.99
    tert-butylamine 1851.73
    n-dodecanol 216.17
    dimethoxymethane 3979.44
    ethylene carbonate 2487.25
    cyrene 882.69
    2-ethoxyethyl acetate 2061.93
    2-ethylhexyl acetate 1435.18
    1,2,4-trichlorobenzene 2561.15
    4-methylpyridine 5979.33
    dibutyl ether 979.05
    2,6-dimethyl-4-heptanol 380.56
    DEF 5639.65
    dimethyl isosorbide 1405.15
    tetrachloroethylene 5304.43
    eugenol 872.85
    triacetin 1285.5
    span 80 759.63
    1,4-butanediol 752.53
    1,1-dichloroethane 8006.58
    2-methyl-1-pentanol 1478.19
    methyl formate 2985.81
    2-methyl-1-butanol 2723.36
    n-decane 60.97
    butyronitrile 4642.34
    3,7-dimethyl-1-octanol 610.03
    1-chlorooctane 453.85
    1-chlorotetradecane 139.71
    n-nonane 58.46
    undecane 42.64
    tert-butylcyclohexane 120.53
    cyclooctane 108.19
    cyclopentanol 2897.95
    tetrahydropyran 6185.92
    tert-amyl methyl ether 2091.0
    2,5,8-trioxanonane 1571.06
    1-hexene 969.64
    2-isopropoxyethanol 1591.51
    2,2,2-trifluoroethanol 886.1
    methyl butyrate 3695.49

    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