2(5H)-Furanone, 3-[14-[3-(3-hexadecenyl)oxiranyl]tetradecyl]-5-methyl-

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  • Identifiers

    CAS number
    178330-55-7

    Molecular formula
    C37H66O3

    SMILES
    CCCCCCCCCCCCC=CCCC1C(O1)CCCCCCCCCCCCCCC2=CC(OC2=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 58.25%
    Waxy 55.21%
    Oily 44.86%
    Odorless 25.18%
    Fruity 24.25%
    Milky 21.51%
    Meaty 21.48%
    Savory 21.31%
    Creamy 20.82%
    Sweet 20.35%

     

    Flavor
    Waxy 34.47%
    Bland 27.48%
    Fatty 26.56%
    Faint 25.49%
    Mild 25.33%
    Slightly waxy 21.96%
    Oily 20.76%
    Delicate 20.74%
    Diterpene 20.2%
    Low 19.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.9

    pKa est.
    8.47 (weak base)

    Molecular weight
    558.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    682°C

    Flash point

    • 242.72 ˚C est.

  • Synonyms

    • DTXSID901153407
    • 2(5H)-Furanone, 3-[14-[3-(3-hexadecenyl)oxiranyl]tetradecyl]-5-methyl-
    • 3-{14-[3-(Hexadec-3-en-1-yl)oxiran-2-yl]tetradecyl}-5-methylfuran-2(5H)-one
    • 178330-55-7
    • 178330-55-7

  • Applications

    Chemical name: 2(5H)-Furanone, 3-[14-[3-(3-hexadecenyl)oxiranyl]tetradecyl]-5-methyl-, CAS 178330-55-7 may find applications as a fragrance ingredient in perfumery and personal care formulations; it can be used as an intermediate or specialty chemical in fragrance chemistry and as a reactive building block in polymer, coatings, and ink formulations due to its lipophilic tail and epoxide functionality; it may be present in household products to contribute aroma notes; it can serve as a precursor or additive for polymer and plastics systems; usage is typically formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.39
    methanol 3.26
    isopropanol 4.16
    water 0.02
    ethyl acetate 56.25
    n-propanol 7.09
    acetone 25.21
    n-butanol 8.91
    acetonitrile 9.16
    DMF 21.84
    toluene 31.37
    isobutanol 6.77
    1,4-dioxane 48.38
    methyl acetate 30.76
    THF 129.05
    2-butanone 48.53
    n-pentanol 10.06
    sec-butanol 9.21
    n-hexane 6.77
    ethylene glycol 0.4
    NMP 119.2
    cyclohexane 19.7
    DMSO 27.4
    n-butyl acetate 58.98
    n-octanol 12.57
    chloroform 280.73
    n-propyl acetate 56.98
    acetic acid 14.74
    dichloromethane 285.95
    cyclohexanone 142.33
    propylene glycol 1.17
    isopropyl acetate 55.28
    DMAc 91.66
    2-ethoxyethanol 19.75
    isopentanol 11.86
    n-heptane 6.83
    ethyl formate 17.64
    1,2-dichloroethane 122.51
    n-hexanol 8.99
    2-methoxyethanol 13.71
    isobutyl acetate 42.85
    tetrachloromethane 48.28
    n-pentyl acetate 87.64
    transcutol 109.71
    n-heptanol 12.75
    ethylbenzene 26.85
    MIBK 44.63
    2-propoxyethanol 23.6
    tert-butanol 7.52
    MTBE 30.8
    2-butoxyethanol 36.75
    propionic acid 13.8
    o-xylene 27.02
    formic acid 3.12
    diethyl ether 28.81
    m-xylene 23.29
    p-xylene 34.66
    chlorobenzene 63.11
    dimethyl carbonate 16.74
    n-octane 3.76
    formamide 6.1
    cyclopentanone 132.58
    2-pentanone 50.34
    anisole 48.47
    cyclopentyl methyl ether 76.91
    gamma-butyrolactone 119.39
    1-methoxy-2-propanol 16.13
    pyridine 76.54
    3-pentanone 54.55
    furfural 78.78
    n-dodecane 2.19
    diethylene glycol 6.52
    diisopropyl ether 17.32
    tert-amyl alcohol 14.49
    acetylacetone 72.52
    n-hexadecane 2.7
    acetophenone 64.05
    methyl propionate 38.67
    isopentyl acetate 65.82
    trichloroethylene 249.73
    n-nonanol 15.9
    cyclohexanol 22.82
    benzyl alcohol 20.3
    2-ethylhexanol 14.99
    isooctanol 15.07
    dipropyl ether 39.46
    1,2-dichlorobenzene 81.04
    ethyl lactate 20.19
    propylene carbonate 74.73
    n-methylformamide 9.55
    2-pentanol 9.33
    n-pentane 4.23
    1-propoxy-2-propanol 28.45
    1-methoxy-2-propyl acetate 67.9
    2-(2-methoxypropoxy) propanol 43.67
    mesitylene 16.86
    ε-caprolactone 151.33
    p-cymene 20.79
    epichlorohydrin 156.77
    1,1,1-trichloroethane 162.77
    2-aminoethanol 1.86
    morpholine-4-carbaldehyde 66.66
    sulfolane 165.12
    2,2,4-trimethylpentane 5.7
    2-methyltetrahydrofuran 116.87
    n-hexyl acetate 76.13
    isooctane 2.82
    2-(2-butoxyethoxy)ethanol 47.44
    sec-butyl acetate 59.72
    tert-butyl acetate 71.36
    decalin 11.72
    glycerin 2.37
    diglyme 129.47
    acrylic acid 10.43
    isopropyl myristate 29.43
    n-butyric acid 34.78
    acetyl acetate 49.81
    di(2-ethylhexyl) phthalate 25.04
    ethyl propionate 59.92
    nitromethane 35.29
    1,2-diethoxyethane 69.08
    benzonitrile 28.41
    trioctyl phosphate 16.37
    1-bromopropane 76.38
    gamma-valerolactone 159.82
    n-decanol 9.93
    triethyl phosphate 46.87
    4-methyl-2-pentanol 9.14
    propionitrile 12.96
    vinylene carbonate 53.48
    1,1,2-trichlorotrifluoroethane 95.62
    DMS 40.26
    cumene 20.26
    2-octanol 11.96
    2-hexanone 55.86
    octyl acetate 32.11
    limonene 33.61
    1,2-dimethoxyethane 54.74
    ethyl orthosilicate 48.69
    tributyl phosphate 23.57
    diacetone alcohol 39.74
    N,N-dimethylaniline 35.52
    acrylonitrile 12.61
    aniline 23.17
    1,3-propanediol 4.61
    bromobenzene 87.18
    dibromomethane 151.14
    1,1,2,2-tetrachloroethane 221.23
    2-methyl-cyclohexyl acetate 69.23
    tetrabutyl urea 35.04
    diisobutyl methanol 13.34
    2-phenylethanol 21.96
    styrene 28.51
    dioctyl adipate 49.49
    dimethyl sulfate 40.81
    ethyl butyrate 74.94
    methyl lactate 13.71
    butyl lactate 42.74
    diethyl carbonate 45.6
    propanediol butyl ether 17.51
    triethyl orthoformate 68.01
    p-tert-butyltoluene 17.86
    methyl 4-tert-butylbenzoate 74.4
    morpholine 57.16
    tert-butylamine 6.37
    n-dodecanol 6.86
    dimethoxymethane 25.0
    ethylene carbonate 50.38
    cyrene 52.64
    2-ethoxyethyl acetate 100.16
    2-ethylhexyl acetate 63.18
    1,2,4-trichlorobenzene 105.52
    4-methylpyridine 66.16
    dibutyl ether 43.24
    2,6-dimethyl-4-heptanol 13.34
    DEF 59.4
    dimethyl isosorbide 117.9
    tetrachloroethylene 122.16
    eugenol 46.76
    triacetin 96.88
    span 80 37.63
    1,4-butanediol 2.39
    1,1-dichloroethane 101.44
    2-methyl-1-pentanol 15.7
    methyl formate 8.55
    2-methyl-1-butanol 12.44
    n-decane 5.31
    butyronitrile 15.93
    3,7-dimethyl-1-octanol 16.79
    1-chlorooctane 22.81
    1-chlorotetradecane 7.43
    n-nonane 4.67
    undecane 3.19
    tert-butylcyclohexane 7.66
    cyclooctane 7.5
    cyclopentanol 21.01
    tetrahydropyran 80.58
    tert-amyl methyl ether 38.79
    2,5,8-trioxanonane 74.59
    1-hexene 16.51
    2-isopropoxyethanol 20.08
    2,2,2-trifluoroethanol 11.67
    methyl butyrate 70.25

    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