Furfuryl hexanoate

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  • Identifiers

    CAS number
    39252-02-3

    Molecular formula
    C11H16O3

    SMILES
    CCCCCC(=O)OCC1=CC=CO1

  • Odor profile

    Fruity 86.53%
    Green 73.06%
    Sweet 59.99%
    Waxy 57.11%
    Caramellic 56.16%
    Pineapple 50.83%
    Fatty 46.81%
    Winey 44.14%
    Tropical 41.74%
    Fermented 39.02%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    196.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point est.
    112.84 ˚C

  • Synonyms

    • Furfuryl hexanoate
    • furan-2-ylmethyl hexanoate
    • 39252-02-3
    • Furfuryl caproate
    • Furfuryl n-hexanoate
    • (furan-2-yl)methyl hexanoate
    • DTXSID80339603
    • Hexanoic acid furfuryl ester
    • 2-Furylmethyl hexanoate #
    • SCHEMBL8579272
    • DTXCID80290684
    • AKOS006242784
    • NS00122150
    • Q63408798

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2019.39
    methanol 4418.05
    isopropanol 790.25
    water 0.45
    ethyl acetate 1875.05
    n-propanol 982.55
    acetone 1722.34
    n-butanol 780.29
    acetonitrile 1762.13
    DMF 1383.05
    toluene 534.53
    isobutanol 578.23
    1,4-dioxane 1601.89
    methyl acetate 1349.88
    THF 1696.15
    2-butanone 1264.1
    n-pentanol 514.47
    sec-butanol 627.51
    n-hexane 17.16
    ethylene glycol 231.36
    NMP 716.98
    cyclohexane 65.37
    DMSO 2405.92
    n-butyl acetate 643.55
    n-octanol 123.58
    chloroform 2196.92
    n-propyl acetate 636.11
    acetic acid 1279.25
    dichloromethane 2977.51
    cyclohexanone 1240.08
    propylene glycol 289.82
    isopropyl acetate 780.25
    DMAc 1444.11
    2-ethoxyethanol 980.67
    isopentanol 640.99
    n-heptane 11.24
    ethyl formate 704.37
    1,2-dichloroethane 1762.1
    n-hexanol 348.35
    2-methoxyethanol 1765.77
    isobutyl acetate 369.84
    tetrachloromethane 140.28
    n-pentyl acetate 256.53
    transcutol 2876.77
    n-heptanol 110.5
    ethylbenzene 208.54
    MIBK 501.72
    2-propoxyethanol 700.79
    tert-butanol 824.33
    MTBE 751.63
    2-butoxyethanol 302.34
    propionic acid 668.95
    o-xylene 250.44
    formic acid 454.74
    diethyl ether 1052.14
    m-xylene 257.63
    p-xylene 278.08
    chlorobenzene 634.42
    dimethyl carbonate 344.14
    n-octane 6.54
    formamide 906.48
    cyclopentanone 1074.47
    2-pentanone 984.95
    anisole 574.12
    cyclopentyl methyl ether 694.96
    gamma-butyrolactone 1172.44
    1-methoxy-2-propanol 994.09
    pyridine 1743.45
    3-pentanone 655.31
    furfural 1116.61
    n-dodecane 9.55
    diethylene glycol 630.51
    diisopropyl ether 178.91
    tert-amyl alcohol 631.1
    acetylacetone 1188.35
    n-hexadecane 11.22
    acetophenone 530.76
    methyl propionate 998.21
    isopentyl acetate 542.42
    trichloroethylene 2889.49
    n-nonanol 114.54
    cyclohexanol 542.46
    benzyl alcohol 496.69
    2-ethylhexanol 181.54
    isooctanol 97.69
    dipropyl ether 196.86
    1,2-dichlorobenzene 508.79
    ethyl lactate 216.56
    propylene carbonate 629.04
    n-methylformamide 807.55
    2-pentanol 406.08
    n-pentane 18.99
    1-propoxy-2-propanol 413.95
    1-methoxy-2-propyl acetate 594.32
    2-(2-methoxypropoxy) propanol 418.48
    mesitylene 142.43
    ε-caprolactone 985.06
    p-cymene 98.18
    epichlorohydrin 1935.2
    1,1,1-trichloroethane 1038.26
    2-aminoethanol 549.52
    morpholine-4-carbaldehyde 1096.58
    sulfolane 1018.18
    2,2,4-trimethylpentane 22.22
    2-methyltetrahydrofuran 1193.23
    n-hexyl acetate 362.97
    isooctane 16.35
    2-(2-butoxyethoxy)ethanol 585.39
    sec-butyl acetate 427.93
    tert-butyl acetate 626.25
    decalin 37.54
    glycerin 342.56
    diglyme 1165.26
    acrylic acid 521.25
    isopropyl myristate 134.88
    n-butyric acid 1075.21
    acetyl acetate 858.09
    di(2-ethylhexyl) phthalate 149.76
    ethyl propionate 535.2
    nitromethane 2270.94
    1,2-diethoxyethane 815.75
    benzonitrile 571.36
    trioctyl phosphate 84.42
    1-bromopropane 788.11
    gamma-valerolactone 1369.46
    n-decanol 83.89
    triethyl phosphate 166.8
    4-methyl-2-pentanol 218.45
    propionitrile 952.45
    vinylene carbonate 626.7
    1,1,2-trichlorotrifluoroethane 955.35
    DMS 461.75
    cumene 123.66
    2-octanol 79.19
    2-hexanone 526.16
    octyl acetate 163.02
    limonene 146.47
    1,2-dimethoxyethane 1447.69
    ethyl orthosilicate 158.04
    tributyl phosphate 130.26
    diacetone alcohol 619.37
    N,N-dimethylaniline 298.37
    acrylonitrile 1203.97
    aniline 620.84
    1,3-propanediol 739.99
    bromobenzene 733.74
    dibromomethane 1623.42
    1,1,2,2-tetrachloroethane 1879.96
    2-methyl-cyclohexyl acetate 268.64
    tetrabutyl urea 164.77
    diisobutyl methanol 112.99
    2-phenylethanol 367.95
    styrene 333.61
    dioctyl adipate 228.94
    dimethyl sulfate 426.5
    ethyl butyrate 396.45
    methyl lactate 322.89
    butyl lactate 201.37
    diethyl carbonate 285.29
    propanediol butyl ether 307.83
    triethyl orthoformate 239.75
    p-tert-butyltoluene 89.0
    methyl 4-tert-butylbenzoate 295.7
    morpholine 2074.14
    tert-butylamine 428.0
    n-dodecanol 64.6
    dimethoxymethane 1138.3
    ethylene carbonate 566.86
    cyrene 324.27
    2-ethoxyethyl acetate 515.56
    2-ethylhexyl acetate 379.65
    1,2,4-trichlorobenzene 583.98
    4-methylpyridine 1403.48
    dibutyl ether 221.67
    2,6-dimethyl-4-heptanol 112.99
    DEF 1067.75
    dimethyl isosorbide 575.98
    tetrachloroethylene 1168.96
    eugenol 308.71
    triacetin 429.99
    span 80 290.19
    1,4-butanediol 267.06
    1,1-dichloroethane 1377.41
    2-methyl-1-pentanol 458.13
    methyl formate 562.69
    2-methyl-1-butanol 554.58
    n-decane 13.46
    butyronitrile 908.05
    3,7-dimethyl-1-octanol 162.95
    1-chlorooctane 90.31
    1-chlorotetradecane 38.51
    n-nonane 11.19
    undecane 10.94
    tert-butylcyclohexane 30.84
    cyclooctane 15.1
    cyclopentanol 434.83
    tetrahydropyran 1433.95
    tert-amyl methyl ether 458.06
    2,5,8-trioxanonane 832.68
    1-hexene 151.24
    2-isopropoxyethanol 575.03
    2,2,2-trifluoroethanol 271.85
    methyl butyrate 773.56

    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