Hexyl 2-furoate

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  • Identifiers

    CAS number
    39251-86-0

    Molecular formula
    C11H16O3

    SMILES
    CCCCCCOC(=O)C1=CC=CO1

  • Odor profile

    Fragrance
    Green 84.0%
    Fruity 83.09%
    Sweet 70.51%
    Floral 60.98%
    Waxy 58.19%
    Caramellic 47.14%
    Herbal 46.68%
    Winey 45.41%
    Oily 44.05%
    Earthy 39.73%

     

    Flavor
    Waxy 53.57%
    Fruity 52.46%
    Oily 46.78%
    Creamy 41.45%
    Mushroom 41.39%
    Green 39.98%
    Sweet 37.23%
    Earthy 34.72%
    Fatty 32.03%
    Coconut 29.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.08 (neutral)

    Molecular weight
    196.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 105.00 °C. @ 1.00 mm Hg

    Flash point

    • 111.07 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Hexyl 2-furoate
    • hexyl furan-2-carboxylate
    • 39251-86-0
    • Hexyl furoate
    • 2-Furancarboxylic acid, hexyl ester
    • Hexyl 2-furancarboxylate
    • Fema 2571
    • FEMA No. 2571
    • UNII-664Q8652YP
    • EINECS 254-377-3
    • 664Q8652YP
    • AI3-36018
    • HEXYL 2-FUROATE [FHFI]
    • DTXSID70192502
    • 2-Furancarboxylic acid,hexyl ester
    • hexyl furan carboxylate
    • Hexyl 2furancarboxylate
    • hexyl uran-2-carboxylate
    • SCHEMBL1532462
    • DTXCID40114993
    • CHEBI:169465
    • 2Furancarboxylic acid, hexyl ester
    • furan-2-carboxylic acid hexyl ester
    • AKOS006229708
    • NS00022138
    • Q27263949
    • 254-377-3

  • Applications

    Hexyl 2-furoate (CAS 39251-86-0) is principally used as a fragrance ingredient in perfumery and cosmetic formulations, imparting fruity, sweet notes. It is commonly evaluated for inclusion in cosmetics and personal care products as a fragrance component; it can be used in household products such as air fresheners and cleaners to provide a pleasant aroma; in industrial manufacturing it serves as an intermediate in fragrance synthesis and formulation of scent blends for various applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4819.9
    methanol 7483.39
    isopropanol 2188.08
    water 0.18
    ethyl acetate 4804.17
    n-propanol 3322.43
    acetone 7647.6
    n-butanol 2465.16
    acetonitrile 5192.74
    DMF 7336.4
    toluene 1395.53
    isobutanol 2190.91
    1,4-dioxane 2774.36
    methyl acetate 3990.62
    THF 4318.65
    2-butanone 5072.33
    n-pentanol 1337.68
    sec-butanol 2291.83
    n-hexane 80.4
    ethylene glycol 500.11
    NMP 4343.51
    cyclohexane 241.5
    DMSO 8106.56
    n-butyl acetate 1918.85
    n-octanol 356.43
    chloroform 5269.45
    n-propyl acetate 1838.39
    acetic acid 3262.91
    dichloromethane 7536.24
    cyclohexanone 5137.06
    propylene glycol 826.15
    isopropyl acetate 2191.61
    DMAc 3798.57
    2-ethoxyethanol 2009.7
    isopentanol 1770.48
    n-heptane 37.0
    ethyl formate 2206.56
    1,2-dichloroethane 6585.35
    n-hexanol 1001.84
    2-methoxyethanol 4791.94
    isobutyl acetate 909.85
    tetrachloromethane 410.84
    n-pentyl acetate 932.21
    transcutol 6010.73
    n-heptanol 331.34
    ethylbenzene 474.12
    MIBK 1557.31
    2-propoxyethanol 1818.28
    tert-butanol 2127.83
    MTBE 2302.55
    2-butoxyethanol 798.94
    propionic acid 2400.83
    o-xylene 631.57
    formic acid 1028.8
    diethyl ether 2942.98
    m-xylene 699.82
    p-xylene 633.69
    chlorobenzene 2302.72
    dimethyl carbonate 1110.12
    n-octane 21.86
    formamide 2467.13
    cyclopentanone 5557.45
    2-pentanone 4035.92
    anisole 1263.77
    cyclopentyl methyl ether 2367.81
    gamma-butyrolactone 5204.74
    1-methoxy-2-propanol 3009.46
    pyridine 4561.04
    3-pentanone 2652.9
    furfural 3781.87
    n-dodecane 23.47
    diethylene glycol 1329.33
    diisopropyl ether 550.81
    tert-amyl alcohol 1980.48
    acetylacetone 3614.11
    n-hexadecane 28.57
    acetophenone 1285.87
    methyl propionate 3583.08
    isopentyl acetate 1530.03
    trichloroethylene 10410.62
    n-nonanol 303.28
    cyclohexanol 1901.82
    benzyl alcohol 1160.29
    2-ethylhexanol 493.57
    isooctanol 286.65
    dipropyl ether 541.78
    1,2-dichlorobenzene 1710.19
    ethyl lactate 600.74
    propylene carbonate 2220.92
    n-methylformamide 4124.66
    2-pentanol 1461.11
    n-pentane 93.86
    1-propoxy-2-propanol 1152.55
    1-methoxy-2-propyl acetate 1497.17
    2-(2-methoxypropoxy) propanol 765.95
    mesitylene 373.62
    ε-caprolactone 3600.96
    p-cymene 225.34
    epichlorohydrin 6794.43
    1,1,1-trichloroethane 3611.59
    2-aminoethanol 1455.69
    morpholine-4-carbaldehyde 3080.14
    sulfolane 4886.33
    2,2,4-trimethylpentane 75.21
    2-methyltetrahydrofuran 3517.16
    n-hexyl acetate 1192.11
    isooctane 58.03
    2-(2-butoxyethoxy)ethanol 1247.22
    sec-butyl acetate 1081.68
    tert-butyl acetate 1804.44
    decalin 101.28
    glycerin 824.27
    diglyme 2365.66
    acrylic acid 2050.39
    isopropyl myristate 344.94
    n-butyric acid 3627.39
    acetyl acetate 2009.69
    di(2-ethylhexyl) phthalate 311.49
    ethyl propionate 1569.55
    nitromethane 7464.83
    1,2-diethoxyethane 1779.67
    benzonitrile 1736.4
    trioctyl phosphate 220.75
    1-bromopropane 3061.8
    gamma-valerolactone 5005.98
    n-decanol 210.82
    triethyl phosphate 333.76
    4-methyl-2-pentanol 612.93
    propionitrile 3332.11
    vinylene carbonate 2049.77
    1,1,2-trichlorotrifluoroethane 3131.34
    DMS 1174.73
    cumene 278.17
    2-octanol 253.53
    2-hexanone 1729.79
    octyl acetate 446.47
    limonene 384.84
    1,2-dimethoxyethane 2805.84
    ethyl orthosilicate 310.57
    tributyl phosphate 313.15
    diacetone alcohol 1836.75
    N,N-dimethylaniline 588.57
    acrylonitrile 4627.7
    aniline 1830.26
    1,3-propanediol 2049.87
    bromobenzene 2477.48
    dibromomethane 4612.15
    1,1,2,2-tetrachloroethane 6508.57
    2-methyl-cyclohexyl acetate 620.2
    tetrabutyl urea 439.63
    diisobutyl methanol 283.38
    2-phenylethanol 870.02
    styrene 810.83
    dioctyl adipate 494.09
    dimethyl sulfate 1426.1
    ethyl butyrate 979.02
    methyl lactate 1123.91
    butyl lactate 646.4
    diethyl carbonate 607.05
    propanediol butyl ether 844.99
    triethyl orthoformate 489.45
    p-tert-butyltoluene 211.79
    methyl 4-tert-butylbenzoate 657.4
    morpholine 4546.75
    tert-butylamine 1199.5
    n-dodecanol 156.95
    dimethoxymethane 3197.4
    ethylene carbonate 1743.99
    cyrene 737.79
    2-ethoxyethyl acetate 1444.44
    2-ethylhexyl acetate 1017.94
    1,2,4-trichlorobenzene 1940.08
    4-methylpyridine 4161.35
    dibutyl ether 589.42
    2,6-dimethyl-4-heptanol 283.38
    DEF 4051.84
    dimethyl isosorbide 1221.44
    tetrachloroethylene 3650.35
    eugenol 688.99
    triacetin 901.14
    span 80 616.86
    1,4-butanediol 625.68
    1,1-dichloroethane 5335.83
    2-methyl-1-pentanol 1084.5
    methyl formate 2497.06
    2-methyl-1-butanol 1915.07
    n-decane 37.08
    butyronitrile 3069.47
    3,7-dimethyl-1-octanol 452.03
    1-chlorooctane 284.16
    1-chlorotetradecane 99.21
    n-nonane 34.0
    undecane 28.33
    tert-butylcyclohexane 79.59
    cyclooctane 58.64
    cyclopentanol 1810.1
    tetrahydropyran 3740.89
    tert-amyl methyl ether 1413.37
    2,5,8-trioxanonane 1362.57
    1-hexene 549.54
    2-isopropoxyethanol 1219.94
    2,2,2-trifluoroethanol 780.04
    methyl butyrate 2279.13

    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