2-methyl-4-triaconta-13,17-dienyl-2H-furan-5-one

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  • Identifiers

    CAS number
    206131-77-3

    Molecular formula
    C35H62O2

    SMILES
    CCCCCCCCCCCCC=CCCC=CCCCCCCCCCCCCC1=CC(OC1=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 68.74%
    Waxy 59.89%
    Oily 51.08%
    Sweet 23.17%
    Odorless 22.83%
    Creamy 20.74%
    Dairy 19.54%
    Savory 19.25%
    Meaty 18.78%
    Fishy 18.45%

     

    Flavor
    Waxy 27.34%
    Faint 26.55%
    Bland 22.32%
    Slightly waxy 20.65%
    Fatty 20.01%
    Delicate 19.96%
    Diterpene 19.78%
    Low 19.49%
    Oriental 19.08%
    Mild 18.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.7

    pKa est.
    -304.72 (strong acid)

    Molecular weight
    514.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    610°C

    Flash point

    • -1235.82 ˚C est.

  • Synonyms

    • 206131-77-3
    • 206131-77-3

  • Applications

    2-methyl-4-triaconta-13,17-dienyl-2H-furan-5-one (CAS 206131-77-3) is a long-chain, polyunsaturated gamma-lactone commonly evaluated as a fragrance ingredient and fixative in perfumery, contributing woody-to-fruity notes and helping to stabilize scent profiles; it can be used in cosmetics and personal care formulations as a scent component, and may be employed as an aroma ingredient in flavor formulations under appropriate regulatory controls; it also serves as an intermediate in the synthesis of fragrance-related compounds in industrial manufacturing, and may be evaluated for use in household products to provide a distinct odor profile.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.26
    methanol 11.65
    isopropanol 13.96
    water 0.06
    ethyl acetate 176.54
    n-propanol 21.46
    acetone 77.4
    n-butanol 28.84
    acetonitrile 24.08
    DMF 92.72
    toluene 87.0
    isobutanol 23.12
    1,4-dioxane 144.32
    methyl acetate 84.37
    THF 391.82
    2-butanone 137.64
    n-pentanol 28.64
    sec-butanol 30.58
    n-hexane 23.91
    ethylene glycol 0.93
    NMP 400.97
    cyclohexane 98.64
    DMSO 97.21
    n-butyl acetate 177.67
    n-octanol 44.61
    chloroform 615.81
    n-propyl acetate 186.39
    acetic acid 35.31
    dichloromethane 677.8
    cyclohexanone 467.29
    propylene glycol 3.1
    isopropyl acetate 167.96
    DMAc 303.56
    2-ethoxyethanol 52.87
    isopentanol 41.48
    n-heptane 22.65
    ethyl formate 56.37
    1,2-dichloroethane 364.4
    n-hexanol 26.12
    2-methoxyethanol 41.09
    isobutyl acetate 131.41
    tetrachloromethane 155.72
    n-pentyl acetate 304.0
    transcutol 301.08
    n-heptanol 41.57
    ethylbenzene 70.27
    MIBK 149.73
    2-propoxyethanol 60.15
    tert-butanol 28.57
    MTBE 101.02
    2-butoxyethanol 102.44
    propionic acid 40.78
    o-xylene 80.91
    formic acid 7.23
    diethyl ether 90.77
    m-xylene 68.67
    p-xylene 98.88
    chlorobenzene 169.17
    dimethyl carbonate 46.64
    n-octane 13.76
    formamide 15.67
    cyclopentanone 399.88
    2-pentanone 166.03
    anisole 128.76
    cyclopentyl methyl ether 256.26
    gamma-butyrolactone 359.28
    1-methoxy-2-propanol 52.21
    pyridine 202.91
    3-pentanone 156.09
    furfural 213.76
    n-dodecane 7.27
    diethylene glycol 15.62
    diisopropyl ether 56.73
    tert-amyl alcohol 51.57
    acetylacetone 215.09
    n-hexadecane 9.06
    acetophenone 173.89
    methyl propionate 117.68
    isopentyl acetate 190.64
    trichloroethylene 627.02
    n-nonanol 51.86
    cyclohexanol 88.49
    benzyl alcohol 52.57
    2-ethylhexanol 43.5
    isooctanol 50.65
    dipropyl ether 120.14
    1,2-dichlorobenzene 229.97
    ethyl lactate 57.59
    propylene carbonate 223.8
    n-methylformamide 33.87
    2-pentanol 31.18
    n-pentane 15.66
    1-propoxy-2-propanol 77.9
    1-methoxy-2-propyl acetate 171.51
    2-(2-methoxypropoxy) propanol 108.18
    mesitylene 54.72
    ε-caprolactone 452.55
    p-cymene 56.28
    epichlorohydrin 415.43
    1,1,1-trichloroethane 463.4
    2-aminoethanol 4.88
    morpholine-4-carbaldehyde 206.45
    sulfolane 534.01
    2,2,4-trimethylpentane 20.22
    2-methyltetrahydrofuran 354.13
    n-hexyl acetate 258.56
    isooctane 9.69
    2-(2-butoxyethoxy)ethanol 126.38
    sec-butyl acetate 174.77
    tert-butyl acetate 222.58
    decalin 38.04
    glycerin 6.16
    diglyme 334.6
    acrylic acid 26.95
    isopropyl myristate 88.46
    n-butyric acid 113.42
    acetyl acetate 119.78
    di(2-ethylhexyl) phthalate 67.33
    ethyl propionate 178.71
    nitromethane 90.61
    1,2-diethoxyethane 205.32
    benzonitrile 82.18
    trioctyl phosphate 48.13
    1-bromopropane 218.59
    gamma-valerolactone 473.2
    n-decanol 31.59
    triethyl phosphate 119.29
    4-methyl-2-pentanol 29.16
    propionitrile 38.34
    vinylene carbonate 162.9
    1,1,2-trichlorotrifluoroethane 219.14
    DMS 119.01
    cumene 53.71
    2-octanol 42.92
    2-hexanone 164.48
    octyl acetate 101.98
    limonene 98.92
    1,2-dimethoxyethane 159.38
    ethyl orthosilicate 126.31
    tributyl phosphate 67.48
    diacetone alcohol 130.7
    N,N-dimethylaniline 101.27
    acrylonitrile 35.42
    aniline 61.67
    1,3-propanediol 12.53
    bromobenzene 224.97
    dibromomethane 388.48
    1,1,2,2-tetrachloroethane 613.23
    2-methyl-cyclohexyl acetate 191.45
    tetrabutyl urea 110.85
    diisobutyl methanol 41.56
    2-phenylethanol 52.41
    styrene 78.19
    dioctyl adipate 145.08
    dimethyl sulfate 118.45
    ethyl butyrate 211.32
    methyl lactate 38.21
    butyl lactate 134.54
    diethyl carbonate 120.93
    propanediol butyl ether 56.98
    triethyl orthoformate 177.17
    p-tert-butyltoluene 50.99
    methyl 4-tert-butylbenzoate 212.59
    morpholine 167.9
    tert-butylamine 24.95
    n-dodecanol 21.61
    dimethoxymethane 81.04
    ethylene carbonate 154.31
    cyrene 122.87
    2-ethoxyethyl acetate 292.25
    2-ethylhexyl acetate 180.22
    1,2,4-trichlorobenzene 276.46
    4-methylpyridine 191.93
    dibutyl ether 151.82
    2,6-dimethyl-4-heptanol 41.56
    DEF 201.77
    dimethyl isosorbide 295.48
    tetrachloroethylene 354.8
    eugenol 132.48
    triacetin 263.95
    span 80 105.15
    1,4-butanediol 6.51
    1,1-dichloroethane 289.15
    2-methyl-1-pentanol 45.29
    methyl formate 28.16
    2-methyl-1-butanol 41.68
    n-decane 18.03
    butyronitrile 54.59
    3,7-dimethyl-1-octanol 53.87
    1-chlorooctane 78.47
    1-chlorotetradecane 23.5
    n-nonane 17.08
    undecane 10.69
    tert-butylcyclohexane 25.48
    cyclooctane 30.41
    cyclopentanol 73.58
    tetrahydropyran 268.11
    tert-amyl methyl ether 125.53
    2,5,8-trioxanonane 189.49
    1-hexene 51.04
    2-isopropoxyethanol 55.33
    2,2,2-trifluoroethanol 25.33
    methyl butyrate 233.17

    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