9-(3,4-Dimethyl-5-pentfuran-2-yl)nonanoic acid

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  • Identifiers

    CAS number
    57818-40-3

    Molecular formula
    C20H34O3

    SMILES
    CCCCCC1=C(C(=C(O1)CCCCCCCCC(=O)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 61.85%
    Waxy 52.01%
    Oily 36.4%
    Creamy 34.24%
    Dairy 34.02%
    Floral 32.89%
    Meaty 32.69%
    Milky 31.41%
    Animal 28.51%
    Roasted 27.75%

     

    Flavor
    Fatty 41.88%
    Mild 33.02%
    Oily 32.47%
    Waxy 31.27%
    Bland 27.99%
    Herbal 27.28%
    Fat 25.71%
    Odorless 25.06%
    Woody 24.88%
    Coconut 23.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    7.78 (neutral)

    Molecular weight
    322.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    413°C

    Flash point

    • 208.82 ˚C est.

  • Synonyms

    • 57818-40-3
    • RefChem:1074895
    • 9-(3,4-Dimethyl-5-pentfuran-2-yl)nonanoic acid
    • 9-(3,4-DIMETHYL-5-PENTYLFURAN-2-YL)NONANOIC ACID
    • 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid
    • 9-(3,4-dimethyl-5-pentylfuran-2-yl)-nonanoic acid
    • 10,13-epoxy-11,12-dimethyl-10,12-octadecadienoic acid
    • 10,13-epoxy-11,12-dimethyloctadeca-10,12-dienoic acid
    • 9D5
    • F3 Acid
    • starbld0006031
    • 9-(3,4-dimethyl-5-pentyl-2-furyl)nonanoic acid
    • DiMe(9,5)
    • SCHEMBL3321272
    • DTXSID60553385
    • CHEBI:187029
    • LMFA01150011
    • DB-304119
    • 9-(3,4-dimethyl-5-pentyluran-2-yl)nonanoic acid
    • 9-(5-penthyl-3,4-dimetylfuran-2-yl)-nonanoic acid
    • 57818-40-3

  • Applications

    9-(3,4-Dimethyl-5-pentfuran-2-yl)nonanoic acid (CAS 57818-40-3) is used primarily as a chemical intermediate and fragrance component in industrial synthesis; in cosmetics and personal care, it may serve as a fragrance ingredient; in household cleaning products, it can contribute to scent profiles; it also functions as a building block for further chemical synthesis in industrial manufacturing and can be added as an odorant or aroma-related additive in coatings or plastics formulations; all usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1151.56
    methanol 997.59
    isopropanol 1010.46
    water 0.09
    ethyl acetate 1465.27
    n-propanol 1011.03
    acetone 1688.67
    n-butanol 918.09
    acetonitrile 348.92
    DMF 2046.26
    toluene 459.94
    isobutanol 822.33
    1,4-dioxane 1993.09
    methyl acetate 973.2
    THF 3318.59
    2-butanone 1579.36
    n-pentanol 663.14
    sec-butanol 936.97
    n-hexane 80.13
    ethylene glycol 24.84
    NMP 1505.15
    cyclohexane 179.06
    DMSO 1057.68
    n-butyl acetate 1100.16
    n-octanol 178.93
    chloroform 1979.99
    n-propyl acetate 1191.33
    acetic acid 347.4
    dichloromethane 2325.79
    cyclohexanone 2213.42
    propylene glycol 91.21
    isopropyl acetate 1218.21
    DMAc 2427.01
    2-ethoxyethanol 1066.58
    isopentanol 908.04
    n-heptane 25.77
    ethyl formate 521.78
    1,2-dichloroethane 1673.26
    n-hexanol 431.02
    2-methoxyethanol 1189.24
    isobutyl acetate 850.12
    tetrachloromethane 308.8
    n-pentyl acetate 827.03
    transcutol 2696.1
    n-heptanol 226.06
    ethylbenzene 267.08
    MIBK 941.35
    2-propoxyethanol 968.61
    tert-butanol 1100.61
    MTBE 2205.96
    2-butoxyethanol 587.98
    propionic acid 408.98
    o-xylene 294.73
    formic acid 69.28
    diethyl ether 1987.38
    m-xylene 304.23
    p-xylene 379.19
    chlorobenzene 644.52
    dimethyl carbonate 261.44
    n-octane 16.68
    formamide 179.08
    cyclopentanone 1952.16
    2-pentanone 1569.07
    anisole 713.67
    cyclopentyl methyl ether 1509.59
    gamma-butyrolactone 1630.82
    1-methoxy-2-propanol 1129.73
    pyridine 1225.42
    3-pentanone 976.56
    furfural 1003.19
    n-dodecane 12.51
    diethylene glycol 311.59
    diisopropyl ether 430.3
    tert-amyl alcohol 1047.42
    acetylacetone 1278.89
    n-hexadecane 15.35
    acetophenone 645.07
    methyl propionate 910.79
    isopentyl acetate 1112.51
    trichloroethylene 2224.6
    n-nonanol 179.28
    cyclohexanol 810.17
    benzyl alcohol 446.91
    2-ethylhexanol 272.5
    isooctanol 226.2
    dipropyl ether 495.82
    1,2-dichlorobenzene 615.47
    ethyl lactate 283.45
    propylene carbonate 879.62
    n-methylformamide 584.68
    2-pentanol 625.12
    n-pentane 62.28
    1-propoxy-2-propanol 726.84
    1-methoxy-2-propyl acetate 975.24
    2-(2-methoxypropoxy) propanol 471.86
    mesitylene 187.86
    ε-caprolactone 1803.84
    p-cymene 124.0
    epichlorohydrin 2303.72
    1,1,1-trichloroethane 1224.61
    2-aminoethanol 159.02
    morpholine-4-carbaldehyde 1602.44
    sulfolane 1618.68
    2,2,4-trimethylpentane 57.42
    2-methyltetrahydrofuran 2522.7
    n-hexyl acetate 806.37
    isooctane 33.76
    2-(2-butoxyethoxy)ethanol 715.7
    sec-butyl acetate 945.75
    tert-butyl acetate 1275.8
    decalin 79.4
    glycerin 109.37
    diglyme 1657.93
    acrylic acid 200.04
    isopropyl myristate 256.06
    n-butyric acid 1034.99
    acetyl acetate 588.66
    di(2-ethylhexyl) phthalate 222.99
    ethyl propionate 888.3
    nitromethane 808.4
    1,2-diethoxyethane 1436.86
    benzonitrile 450.95
    trioctyl phosphate 145.42
    1-bromopropane 1055.46
    gamma-valerolactone 2688.84
    n-decanol 116.91
    triethyl phosphate 264.62
    4-methyl-2-pentanol 363.39
    propionitrile 506.05
    vinylene carbonate 648.15
    1,1,2-trichlorotrifluoroethane 828.37
    DMS 539.03
    cumene 175.59
    2-octanol 181.98
    2-hexanone 1062.18
    octyl acetate 325.65
    limonene 233.06
    1,2-dimethoxyethane 2279.7
    ethyl orthosilicate 295.64
    tributyl phosphate 207.92
    diacetone alcohol 894.35
    N,N-dimethylaniline 425.11
    acrylonitrile 395.59
    aniline 512.25
    1,3-propanediol 421.72
    bromobenzene 699.58
    dibromomethane 1375.16
    1,1,2,2-tetrachloroethane 1928.07
    2-methyl-cyclohexyl acetate 565.9
    tetrabutyl urea 291.99
    diisobutyl methanol 161.94
    2-phenylethanol 378.54
    styrene 354.74
    dioctyl adipate 390.71
    dimethyl sulfate 431.43
    ethyl butyrate 729.7
    methyl lactate 249.04
    butyl lactate 452.65
    diethyl carbonate 375.82
    propanediol butyl ether 372.4
    triethyl orthoformate 480.16
    p-tert-butyltoluene 125.28
    methyl 4-tert-butylbenzoate 510.7
    morpholine 2917.07
    tert-butylamine 691.78
    n-dodecanol 83.38
    dimethoxymethane 1580.2
    ethylene carbonate 710.7
    cyrene 459.24
    2-ethoxyethyl acetate 1091.38
    2-ethylhexyl acetate 839.6
    1,2,4-trichlorobenzene 686.67
    4-methylpyridine 1356.84
    dibutyl ether 473.48
    2,6-dimethyl-4-heptanol 161.94
    DEF 1778.79
    dimethyl isosorbide 864.32
    tetrachloroethylene 1187.55
    eugenol 444.14
    triacetin 636.79
    span 80 376.83
    1,4-butanediol 165.51
    1,1-dichloroethane 1479.28
    2-methyl-1-pentanol 671.6
    methyl formate 300.66
    2-methyl-1-butanol 841.74
    n-decane 25.33
    butyronitrile 751.77
    3,7-dimethyl-1-octanol 222.91
    1-chlorooctane 167.29
    1-chlorotetradecane 55.42
    n-nonane 22.43
    undecane 16.74
    tert-butylcyclohexane 66.54
    cyclooctane 33.99
    cyclopentanol 752.78
    tetrahydropyran 2836.48
    tert-amyl methyl ether 1230.96
    2,5,8-trioxanonane 867.55
    1-hexene 401.72
    2-isopropoxyethanol 831.15
    2,2,2-trifluoroethanol 128.78
    methyl butyrate 1292.68

    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