Furfuryl pentanoate

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  • Identifiers

    CAS number
    36701-01-6

    Molecular formula
    C10H14O3

    SMILES
    CCCCC(=O)OCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 91.59%
    Caramellic 59.31%
    Sweet 52.2%
    Pineapple 52.13%
    Green 45.97%
    Apple 40.76%
    Tropical 40.26%
    Winey 39.94%
    Waxy 37.08%
    Fermented 36.36%

     

    Flavor
    Fruity 89.74%
    Sweet 76.26%
    Pineapple 65.31%
    Apple 44.6%
    Tropical 43.55%
    Berry 42.06%
    Green 37.96%
    Banana 37.76%
    Grape 37.46%
    Fruit 35.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.47 (neutral)

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 82.00 to 83.00 °C. @ 1.00 mm Hg

    Flash point

    • 104.31 ˚C est.

    Solubility expt.

    • insoluble in water
    • miscible (in ethanol)

  • Synonyms

    • Furfuryl pentanoate
    • furan-2-ylmethyl pentanoate
    • 36701-01-6
    • Furfuryl valerate
    • 2-Furfuryl pentanoate
    • Pentanoic acid, 2-furanylmethyl ester
    • alpha-Furfuryl pentanoate
    • 2-Furanylmethyl pentanoate
    • FEMA No. 3397
    • UNII-8KBJ13E9P2
    • 8KBJ13E9P2
    • EINECS 253-160-0
    • OXAROMATE 884
    • (furan-2-yl)methyl pentanoate
    • DTXSID8067993
    • .ALPHA.-FURFURYL PENTANOATE
    • .ALPHA.-FURFURYL PENTANOATE [FHFI]
    • 2-Furylmethyl pentanoate
    • uran-2-ylmethyl pentanoate
    • 2-Furylmethyl pentanoate #
    • SCHEMBL155116
    • DTXCID5039220
    • FEMA 3397
    • CHEBI:179569
    • Furfuryl pentanoate, >=97%, FG
    • LMFA07010892
    • AKOS015915490
    • SB61601
    • NS00012487
    • G77535
    • Q27270663

  • Applications

    Furfuryl pentanoate (CAS 36701-01-6) is an aromatic ester used primarily as a fragrance ingredient with a warm fruity note and a furan character. In practice, it is used as an odorant in perfumery and personal care products; it is also considered for flavor/aroma applications in food and beverage formulations at limited and regulated levels; additionally, it can serve as a fragrance component in household and cleaning products to impart scent; at development and research stages, it may function as an intermediate in the synthesis of other fragrance compounds for the fragrance industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1506.08
    methanol 3221.52
    isopropanol 685.66
    water 1.21
    ethyl acetate 851.38
    n-propanol 763.78
    acetone 1023.15
    n-butanol 628.48
    acetonitrile 1119.23
    DMF 1242.07
    toluene 361.42
    isobutanol 493.73
    1,4-dioxane 1152.81
    methyl acetate 760.22
    THF 996.78
    2-butanone 744.23
    n-pentanol 450.73
    sec-butanol 529.14
    n-hexane 12.64
    ethylene glycol 254.72
    NMP 474.01
    cyclohexane 40.74
    DMSO 1668.33
    n-butyl acetate 399.61
    n-octanol 129.37
    chloroform 1484.52
    n-propyl acetate 363.47
    acetic acid 1076.08
    dichloromethane 1658.66
    cyclohexanone 708.4
    propylene glycol 306.95
    isopropyl acetate 373.8
    DMAc 1201.65
    2-ethoxyethanol 807.44
    isopentanol 528.22
    n-heptane 8.78
    ethyl formate 487.87
    1,2-dichloroethane 950.72
    n-hexanol 297.0
    2-methoxyethanol 1299.42
    isobutyl acetate 232.3
    tetrachloromethane 90.7
    n-pentyl acetate 170.94
    transcutol 1886.73
    n-heptanol 105.7
    ethylbenzene 178.95
    MIBK 289.72
    2-propoxyethanol 537.89
    tert-butanol 764.36
    MTBE 509.64
    2-butoxyethanol 253.7
    propionic acid 510.67
    o-xylene 193.64
    formic acid 453.45
    diethyl ether 493.86
    m-xylene 185.26
    p-xylene 243.46
    chlorobenzene 436.83
    dimethyl carbonate 214.93
    n-octane 6.15
    formamide 758.34
    cyclopentanone 571.93
    2-pentanone 503.67
    anisole 445.7
    cyclopentyl methyl ether 351.45
    gamma-butyrolactone 656.57
    1-methoxy-2-propanol 719.87
    pyridine 1183.26
    3-pentanone 333.93
    furfural 822.81
    n-dodecane 10.05
    diethylene glycol 525.18
    diisopropyl ether 96.45
    tert-amyl alcohol 579.59
    acetylacetone 615.94
    n-hexadecane 11.39
    acetophenone 410.19
    methyl propionate 493.5
    isopentyl acetate 347.0
    trichloroethylene 1713.61
    n-nonanol 113.6
    cyclohexanol 398.58
    benzyl alcohol 450.51
    2-ethylhexanol 152.69
    isooctanol 93.17
    dipropyl ether 122.38
    1,2-dichlorobenzene 357.42
    ethyl lactate 168.34
    propylene carbonate 391.52
    n-methylformamide 637.87
    2-pentanol 325.23
    n-pentane 13.33
    1-propoxy-2-propanol 315.19
    1-methoxy-2-propyl acetate 353.23
    2-(2-methoxypropoxy) propanol 346.73
    mesitylene 98.03
    ε-caprolactone 557.28
    p-cymene 78.12
    epichlorohydrin 1059.75
    1,1,1-trichloroethane 615.69
    2-aminoethanol 491.41
    morpholine-4-carbaldehyde 793.08
    sulfolane 632.2
    2,2,4-trimethylpentane 16.97
    2-methyltetrahydrofuran 614.88
    n-hexyl acetate 252.34
    isooctane 11.78
    2-(2-butoxyethoxy)ethanol 471.99
    sec-butyl acetate 246.66
    tert-butyl acetate 344.54
    decalin 28.56
    glycerin 357.41
    diglyme 878.59
    acrylic acid 433.5
    isopropyl myristate 98.33
    n-butyric acid 753.87
    acetyl acetate 453.76
    di(2-ethylhexyl) phthalate 119.01
    ethyl propionate 312.91
    nitromethane 1455.29
    1,2-diethoxyethane 477.82
    benzonitrile 489.13
    trioctyl phosphate 70.0
    1-bromopropane 429.22
    gamma-valerolactone 872.27
    n-decanol 84.09
    triethyl phosphate 115.89
    4-methyl-2-pentanol 172.32
    propionitrile 655.96
    vinylene carbonate 444.44
    1,1,2-trichlorotrifluoroethane 649.68
    DMS 288.68
    cumene 105.49
    2-octanol 78.39
    2-hexanone 332.99
    octyl acetate 125.93
    limonene 107.31
    1,2-dimethoxyethane 1090.09
    ethyl orthosilicate 109.02
    tributyl phosphate 99.95
    diacetone alcohol 421.88
    N,N-dimethylaniline 256.52
    acrylonitrile 900.57
    aniline 457.53
    1,3-propanediol 666.87
    bromobenzene 456.96
    dibromomethane 968.14
    1,1,2,2-tetrachloroethane 1185.16
    2-methyl-cyclohexyl acetate 180.17
    tetrabutyl urea 135.78
    diisobutyl methanol 92.61
    2-phenylethanol 298.36
    styrene 279.97
    dioctyl adipate 170.58
    dimethyl sulfate 286.4
    ethyl butyrate 249.22
    methyl lactate 239.24
    butyl lactate 151.0
    diethyl carbonate 193.19
    propanediol butyl ether 280.07
    triethyl orthoformate 161.94
    p-tert-butyltoluene 70.77
    methyl 4-tert-butylbenzoate 228.12
    morpholine 1343.09
    tert-butylamine 389.83
    n-dodecanol 65.89
    dimethoxymethane 688.67
    ethylene carbonate 370.67
    cyrene 256.28
    2-ethoxyethyl acetate 317.7
    2-ethylhexyl acetate 241.69
    1,2,4-trichlorobenzene 414.38
    4-methylpyridine 1006.19
    dibutyl ether 158.37
    2,6-dimethyl-4-heptanol 92.61
    DEF 630.99
    dimethyl isosorbide 405.09
    tetrachloroethylene 731.68
    eugenol 269.41
    triacetin 288.66
    span 80 241.77
    1,4-butanediol 285.27
    1,1-dichloroethane 824.14
    2-methyl-1-pentanol 393.96
    methyl formate 433.8
    2-methyl-1-butanol 469.65
    n-decane 13.72
    butyronitrile 648.45
    3,7-dimethyl-1-octanol 153.45
    1-chlorooctane 76.55
    1-chlorotetradecane 34.68
    n-nonane 11.37
    undecane 11.38
    tert-butylcyclohexane 24.49
    cyclooctane 10.46
    cyclopentanol 336.21
    tetrahydropyran 825.3
    tert-amyl methyl ether 312.09
    2,5,8-trioxanonane 658.76
    1-hexene 110.42
    2-isopropoxyethanol 457.0
    2,2,2-trifluoroethanol 238.4
    methyl butyrate 451.55

    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