Furfuryl octanoate

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  • Identifiers

    CAS number
    39252-03-4

    Molecular formula
    C13H20O3

    SMILES
    CCCCCCCC(=O)OCC1=CC=CO1

  • Odor profile

    Fragrance
    Fruity 73.7%
    Fatty 66.18%
    Waxy 63.29%
    Green 58.23%
    Sweet 57.56%
    Caramellic 53.29%
    Oily 48.95%
    Winey 44.39%
    Peach 44.23%
    Buttery 40.69%

     

    Flavor
    Fruity 73.36%
    Waxy 61.58%
    Oily 52.16%
    Green 49.91%
    Sweet 49.51%
    Creamy 45.38%
    Fatty 40.85%
    Mushroom 39.52%
    Pineapple 39.39%
    Wine 37.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.95 (neutral)

    Molecular weight
    224.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 139.00 °C. @ 10.00 mm Hg

    Flash point

    • 127.61 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Furfuryl octanoate
    • furan-2-ylmethyl octanoate
    • 39252-03-4
    • Furfuryl caprylate
    • alpha-Furfuryl octanoate
    • 2-Furfuryl octanoate
    • Octanoic acid, 2-furanylmethyl ester
    • Octanoic acid, furfuryl ester
    • 2-Furanylmethyl octanoate
    • FEMA No. 3396
    • UNII-24FE04Z37C
    • 24FE04Z37C
    • EINECS 254-381-5
    • DTXSID8068171
    • .ALPHA.-FURFURYL OCTANOATE
    • .ALPHA.-FURFURYL OCTANOATE [FHFI]
    • 2-Furylmethyl octanoate
    • uran-2-ylmethyl octanoate
    • 2-Furylmethyl octanoate #
    • octanoic acid furfuryl ester
    • SCHEMBL2395752
    • DTXCID8039617
    • FEMA 3396
    • CHEBI:174158
    • LMFA07010891
    • MFCD00209510
    • NS00022140
    • Q27253846
    • 254-381-5

  • Applications

    Furfuryl octanoate (CAS 39252-03-4) is primarily utilized as a fragrance ingredient in perfumery and cosmetic formulations, contributing sweet, caramel-like notes and behaving as a versatile aroma compound for blend development. It is also employed in household and cleaning products as a scent additive to impart a desirable odor profile. In flavor applications, it may be used as an aroma constituent to impart toasted or nutty characteristics in processed foods and beverages, subject to local regulations and formulation limits. Additionally, it can be encountered in coatings and inks as a fragrance additive to improve odor perception during use. Its use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2778.77
    methanol 4980.86
    isopropanol 1281.03
    water 0.14
    ethyl acetate 3408.79
    n-propanol 1589.25
    acetone 3937.63
    n-butanol 1195.03
    acetonitrile 3119.53
    DMF 2666.02
    toluene 883.0
    isobutanol 1006.92
    1,4-dioxane 2249.52
    methyl acetate 2366.3
    THF 2825.67
    2-butanone 2664.47
    n-pentanol 808.66
    sec-butanol 1108.79
    n-hexane 40.18
    ethylene glycol 215.5
    NMP 1419.55
    cyclohexane 134.01
    DMSO 4886.99
    n-butyl acetate 1295.38
    n-octanol 192.88
    chloroform 3644.52
    n-propyl acetate 1467.82
    acetic acid 1618.93
    dichloromethane 4862.83
    cyclohexanone 2718.25
    propylene glycol 366.34
    isopropyl acetate 1574.33
    DMAc 2508.43
    2-ethoxyethanol 1405.39
    isopentanol 1028.15
    n-heptane 20.51
    ethyl formate 1192.62
    1,2-dichloroethane 3426.27
    n-hexanol 553.39
    2-methoxyethanol 2349.96
    isobutyl acetate 787.73
    tetrachloromethane 302.22
    n-pentyl acetate 577.13
    transcutol 4300.78
    n-heptanol 185.91
    ethylbenzene 365.12
    MIBK 986.58
    2-propoxyethanol 1070.12
    tert-butanol 1400.91
    MTBE 1606.04
    2-butoxyethanol 494.33
    propionic acid 1083.55
    o-xylene 432.44
    formic acid 425.54
    diethyl ether 2039.94
    m-xylene 452.03
    p-xylene 477.72
    chlorobenzene 1092.33
    dimethyl carbonate 569.75
    n-octane 11.26
    formamide 1015.96
    cyclopentanone 2412.61
    2-pentanone 2110.25
    anisole 917.38
    cyclopentyl methyl ether 1364.83
    gamma-butyrolactone 2398.4
    1-methoxy-2-propanol 1478.96
    pyridine 2803.11
    3-pentanone 1412.38
    furfural 1778.66
    n-dodecane 13.32
    diethylene glycol 743.09
    diisopropyl ether 348.76
    tert-amyl alcohol 1106.69
    acetylacetone 2213.48
    n-hexadecane 16.18
    acetophenone 883.42
    methyl propionate 1863.12
    isopentyl acetate 1088.67
    trichloroethylene 5118.55
    n-nonanol 174.67
    cyclohexanol 947.05
    benzyl alcohol 716.59
    2-ethylhexanol 306.58
    isooctanol 168.71
    dipropyl ether 407.59
    1,2-dichlorobenzene 900.66
    ethyl lactate 386.97
    propylene carbonate 1183.74
    n-methylformamide 1381.25
    2-pentanol 702.69
    n-pentane 35.66
    1-propoxy-2-propanol 708.17
    1-methoxy-2-propyl acetate 1075.56
    2-(2-methoxypropoxy) propanol 587.22
    mesitylene 249.18
    ε-caprolactone 2010.74
    p-cymene 166.52
    epichlorohydrin 3329.9
    1,1,1-trichloroethane 2095.39
    2-aminoethanol 643.93
    morpholine-4-carbaldehyde 1630.68
    sulfolane 2227.69
    2,2,4-trimethylpentane 38.75
    2-methyltetrahydrofuran 2164.49
    n-hexyl acetate 691.69
    isooctane 28.94
    2-(2-butoxyethoxy)ethanol 858.87
    sec-butyl acetate 924.09
    tert-butyl acetate 1224.92
    decalin 67.83
    glycerin 397.69
    diglyme 1747.97
    acrylic acid 763.2
    isopropyl myristate 225.05
    n-butyric acid 1822.1
    acetyl acetate 1393.81
    di(2-ethylhexyl) phthalate 224.58
    ethyl propionate 1182.35
    nitromethane 3645.85
    1,2-diethoxyethane 1421.52
    benzonitrile 965.04
    trioctyl phosphate 132.87
    1-bromopropane 1585.89
    gamma-valerolactone 2533.01
    n-decanol 121.42
    triethyl phosphate 270.04
    4-methyl-2-pentanol 338.82
    propionitrile 1706.19
    vinylene carbonate 1110.22
    1,1,2-trichlorotrifluoroethane 1594.13
    DMS 773.76
    cumene 210.03
    2-octanol 137.25
    2-hexanone 1196.46
    octyl acetate 273.07
    limonene 260.76
    1,2-dimethoxyethane 2224.81
    ethyl orthosilicate 265.57
    tributyl phosphate 209.89
    diacetone alcohol 1058.7
    N,N-dimethylaniline 476.99
    acrylonitrile 2031.4
    aniline 999.56
    1,3-propanediol 931.19
    bromobenzene 1269.99
    dibromomethane 2830.86
    1,1,2,2-tetrachloroethane 3499.19
    2-methyl-cyclohexyl acetate 475.8
    tetrabutyl urea 269.14
    diisobutyl methanol 182.39
    2-phenylethanol 544.94
    styrene 587.48
    dioctyl adipate 369.34
    dimethyl sulfate 759.95
    ethyl butyrate 784.04
    methyl lactate 515.77
    butyl lactate 402.06
    diethyl carbonate 491.45
    propanediol butyl ether 468.43
    triethyl orthoformate 413.84
    p-tert-butyltoluene 151.8
    methyl 4-tert-butylbenzoate 488.58
    morpholine 3217.68
    tert-butylamine 740.29
    n-dodecanol 90.56
    dimethoxymethane 1836.64
    ethylene carbonate 1016.73
    cyrene 482.25
    2-ethoxyethyl acetate 977.11
    2-ethylhexyl acetate 745.78
    1,2,4-trichlorobenzene 1039.16
    4-methylpyridine 2475.21
    dibutyl ether 425.25
    2,6-dimethyl-4-heptanol 182.39
    DEF 2143.62
    dimethyl isosorbide 888.11
    tetrachloroethylene 2139.05
    eugenol 477.74
    triacetin 757.66
    span 80 427.7
    1,4-butanediol 349.19
    1,1-dichloroethane 2839.4
    2-methyl-1-pentanol 699.12
    methyl formate 913.31
    2-methyl-1-butanol 911.57
    n-decane 21.52
    butyronitrile 1632.14
    3,7-dimethyl-1-octanol 258.33
    1-chlorooctane 165.61
    1-chlorotetradecane 58.52
    n-nonane 19.05
    undecane 15.95
    tert-butylcyclohexane 54.99
    cyclooctane 27.35
    cyclopentanol 796.83
    tetrahydropyran 2636.78
    tert-amyl methyl ether 906.56
    2,5,8-trioxanonane 1131.32
    1-hexene 368.03
    2-isopropoxyethanol 903.06
    2,2,2-trifluoroethanol 373.42
    methyl butyrate 1724.72

    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