(5S)-5-Methyl-3-(11Z,15Z,19Z)-11,15,19-triacontatrien-1-yl-2(5H)-furanone

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  • Identifiers

    CAS number
    206131-73-9

    Molecular formula
    C35H60O2

    SMILES
    CCCCCCCCCC/C=C\CC/C=C\CC/C=C\CCCCCCCCCCC1=C[C@@H](OC1=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 70.06%
    Oily 54.47%
    Waxy 52.53%
    Sweet 25.3%
    Fruity 21.94%
    Odorless 20.08%
    Creamy 19.64%
    Fishy 19.47%
    Woody 19.11%
    Dairy 18.83%

     

    Flavor
    Faint 24.73%
    Waxy 19.54%
    Slightly waxy 19.41%
    Diterpene 19.36%
    Delicate 19.22%
    Low 19.11%
    Oriental 18.92%
    Bland 18.04%
    Terpentine 18.03%
    Bay oil 17.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.8

    pKa est.
    -304.95 (strong acid)

    Molecular weight
    512.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    594°C

    Flash point

    • -1235.82 ˚C est.

  • Synonyms

    • (5S)-5-Methyl-3-(11Z,15Z,19Z)-11,15,19-triacontatrien-1-yl-2(5H)-furanone
    • 206131-73-9
    • RefChem:209646
    • Chatenaytrienin 1
    • CHEBI:188031
    • DTXSID701148381
    • (2S)-2-methyl-4-[(11Z,15Z,19Z)-triaconta-11,15,19-trienyl]-2H-uran-5-one
    • (5S)-5-Methyl-3-[(11Z,15Z,19Z)-triaconta-11,15,19-trien-1-yl]furan-2(5H)-one
    • 206131-73-9

  • Applications

    (5S)-5-Methyl-3-(11Z,15Z,19Z)-11,15,19-triacontatrien-1-yl-2(5H)-furanone (CAS 206131-73-9) is a long-chain gamma-lactone bearing a polyunsaturated C30 tail, commonly considered a fragrance ingredient and fixative in perfumery. Real-world applications include: functioning as a fragrance ingredient and fixative in cosmetics and personal care; adding aroma to household cleaning and cleaning products; integration into coatings/inks and fragrance encapsulation systems to release scent from surfaces; evaluated as a fragrance component in industrial chemical formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.01
    methanol 12.52
    isopropanol 14.01
    water 0.05
    ethyl acetate 165.4
    n-propanol 22.14
    acetone 74.56
    n-butanol 29.69
    acetonitrile 22.47
    DMF 87.88
    toluene 86.01
    isobutanol 22.85
    1,4-dioxane 141.64
    methyl acetate 80.11
    THF 379.72
    2-butanone 135.28
    n-pentanol 28.98
    sec-butanol 30.75
    n-hexane 21.59
    ethylene glycol 0.88
    NMP 362.4
    cyclohexane 85.94
    DMSO 95.01
    n-butyl acetate 162.15
    n-octanol 40.1
    chloroform 595.01
    n-propyl acetate 172.25
    acetic acid 33.82
    dichloromethane 673.44
    cyclohexanone 444.32
    propylene glycol 2.91
    isopropyl acetate 153.53
    DMAc 292.65
    2-ethoxyethanol 53.23
    isopentanol 40.74
    n-heptane 19.38
    ethyl formate 53.39
    1,2-dichloroethane 359.57
    n-hexanol 25.64
    2-methoxyethanol 40.85
    isobutyl acetate 120.07
    tetrachloromethane 140.94
    n-pentyl acetate 269.33
    transcutol 296.49
    n-heptanol 38.89
    ethylbenzene 66.81
    MIBK 140.58
    2-propoxyethanol 59.25
    tert-butanol 27.12
    MTBE 94.22
    2-butoxyethanol 96.97
    propionic acid 38.22
    o-xylene 75.98
    formic acid 7.05
    diethyl ether 89.5
    m-xylene 65.14
    p-xylene 92.01
    chlorobenzene 161.77
    dimethyl carbonate 42.77
    n-octane 11.66
    formamide 14.98
    cyclopentanone 371.79
    2-pentanone 162.82
    anisole 124.08
    cyclopentyl methyl ether 238.72
    gamma-butyrolactone 328.3
    1-methoxy-2-propanol 50.22
    pyridine 198.08
    3-pentanone 150.0
    furfural 197.33
    n-dodecane 6.35
    diethylene glycol 15.15
    diisopropyl ether 50.88
    tert-amyl alcohol 49.46
    acetylacetone 199.6
    n-hexadecane 7.91
    acetophenone 164.33
    methyl propionate 110.63
    isopentyl acetate 173.56
    trichloroethylene 608.55
    n-nonanol 46.45
    cyclohexanol 83.04
    benzyl alcohol 51.14
    2-ethylhexanol 40.54
    isooctanol 46.78
    dipropyl ether 110.25
    1,2-dichlorobenzene 214.58
    ethyl lactate 52.24
    propylene carbonate 200.0
    n-methylformamide 32.08
    2-pentanol 30.52
    n-pentane 14.19
    1-propoxy-2-propanol 73.14
    1-methoxy-2-propyl acetate 157.32
    2-(2-methoxypropoxy) propanol 101.92
    mesitylene 49.95
    ε-caprolactone 427.0
    p-cymene 50.82
    epichlorohydrin 398.22
    1,1,1-trichloroethane 428.74
    2-aminoethanol 4.71
    morpholine-4-carbaldehyde 192.64
    sulfolane 478.81
    2,2,4-trimethylpentane 17.97
    2-methyltetrahydrofuran 339.35
    n-hexyl acetate 229.17
    isooctane 8.47
    2-(2-butoxyethoxy)ethanol 121.25
    sec-butyl acetate 162.22
    tert-butyl acetate 203.05
    decalin 33.7
    glycerin 5.78
    diglyme 320.23
    acrylic acid 25.27
    isopropyl myristate 79.16
    n-butyric acid 108.41
    acetyl acetate 108.19
    di(2-ethylhexyl) phthalate 61.67
    ethyl propionate 164.18
    nitromethane 84.84
    1,2-diethoxyethane 195.47
    benzonitrile 76.57
    trioctyl phosphate 43.44
    1-bromopropane 215.93
    gamma-valerolactone 443.28
    n-decanol 28.63
    triethyl phosphate 106.08
    4-methyl-2-pentanol 27.82
    propionitrile 37.23
    vinylene carbonate 147.54
    1,1,2-trichlorotrifluoroethane 205.88
    DMS 108.1
    cumene 50.28
    2-octanol 38.16
    2-hexanone 157.99
    octyl acetate 91.71
    limonene 89.1
    1,2-dimethoxyethane 155.01
    ethyl orthosilicate 113.29
    tributyl phosphate 59.96
    diacetone alcohol 120.81
    N,N-dimethylaniline 96.11
    acrylonitrile 33.82
    aniline 61.05
    1,3-propanediol 12.37
    bromobenzene 214.88
    dibromomethane 382.36
    1,1,2,2-tetrachloroethane 593.54
    2-methyl-cyclohexyl acetate 172.92
    tetrabutyl urea 100.07
    diisobutyl methanol 37.96
    2-phenylethanol 50.56
    styrene 74.83
    dioctyl adipate 131.29
    dimethyl sulfate 106.13
    ethyl butyrate 191.92
    methyl lactate 35.17
    butyl lactate 120.05
    diethyl carbonate 107.17
    propanediol butyl ether 53.08
    triethyl orthoformate 158.62
    p-tert-butyltoluene 45.8
    methyl 4-tert-butylbenzoate 192.44
    morpholine 163.38
    tert-butylamine 23.28
    n-dodecanol 19.62
    dimethoxymethane 79.41
    ethylene carbonate 140.07
    cyrene 113.82
    2-ethoxyethyl acetate 269.66
    2-ethylhexyl acetate 164.08
    1,2,4-trichlorobenzene 258.11
    4-methylpyridine 185.25
    dibutyl ether 136.17
    2,6-dimethyl-4-heptanol 37.96
    DEF 191.58
    dimethyl isosorbide 273.66
    tetrachloroethylene 342.37
    eugenol 121.51
    triacetin 235.92
    span 80 97.62
    1,4-butanediol 6.19
    1,1-dichloroethane 281.02
    2-methyl-1-pentanol 44.98
    methyl formate 26.09
    2-methyl-1-butanol 41.21
    n-decane 15.68
    butyronitrile 53.47
    3,7-dimethyl-1-octanol 48.58
    1-chlorooctane 69.72
    1-chlorotetradecane 21.14
    n-nonane 14.66
    undecane 9.33
    tert-butylcyclohexane 22.47
    cyclooctane 25.89
    cyclopentanol 67.65
    tetrahydropyran 264.66
    tert-amyl methyl ether 116.86
    2,5,8-trioxanonane 180.52
    1-hexene 48.24
    2-isopropoxyethanol 54.0
    2,2,2-trifluoroethanol 22.26
    methyl butyrate 215.62

    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