Chatenaytrienin 2

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  • Identifiers

    CAS number
    206131-74-0

    Molecular formula
    C35H60O2

    SMILES
    CCCCCCCCCCCC/C=C\CC/C=C\CC/C=C\CCCCCCCCC1=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.
    -304.96 (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

    • -1235.95 ˚C est.

  • Synonyms

    • Chatenaytrienin 2
    • CHEBI:188036
    • DTXSID801151822
    • 206131-74-0
    • (2S)-2-methyl-4-[(9Z,13Z,17Z)-triaconta-9,13,17-trienyl]-2H-uran-5-one
    • (5S)-5-Methyl-3-(9Z,13Z,17Z)-9,13,17-triacontatrien-1-yl-2(5H)-furanone
    • (5S)-5-Methyl-3-[(9Z,13Z,17Z)-triaconta-9,13,17-trien-1-yl]furan-2(5H)-one
    • 206131-74-0

  • Applications

    Chatenaytrienin 2 (CAS 206131-74-0) has potential real-world applications including as an odorant/fragrance component in perfumery and cosmetic formulations; it may be used as an intermediate in organic synthesis for industrial manufacturing; it could be employed in household products as a fragrance or scent additive; it is relevant to polymers/plastics and coatings/inks as a base material or additive in formulation; and it serves as a reference compound for R&D and formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.43
    methanol 12.92
    isopropanol 14.37
    water 0.05
    ethyl acetate 167.83
    n-propanol 22.73
    acetone 75.78
    n-butanol 30.44
    acetonitrile 22.8
    DMF 89.1
    toluene 86.78
    isobutanol 23.38
    1,4-dioxane 143.83
    methyl acetate 81.21
    THF 384.48
    2-butanone 137.28
    n-pentanol 29.58
    sec-butanol 31.44
    n-hexane 21.72
    ethylene glycol 0.9
    NMP 364.82
    cyclohexane 86.52
    DMSO 96.59
    n-butyl acetate 164.09
    n-octanol 40.7
    chloroform 599.11
    n-propyl acetate 174.48
    acetic acid 34.46
    dichloromethane 679.01
    cyclohexanone 449.43
    propylene glycol 2.97
    isopropyl acetate 155.58
    DMAc 295.61
    2-ethoxyethanol 54.27
    isopentanol 41.64
    n-heptane 19.48
    ethyl formate 54.18
    1,2-dichloroethane 363.56
    n-hexanol 26.1
    2-methoxyethanol 41.75
    isobutyl acetate 121.46
    tetrachloromethane 141.9
    n-pentyl acetate 272.59
    transcutol 302.08
    n-heptanol 39.54
    ethylbenzene 67.3
    MIBK 142.69
    2-propoxyethanol 60.28
    tert-butanol 27.68
    MTBE 95.44
    2-butoxyethanol 98.58
    propionic acid 38.82
    o-xylene 76.52
    formic acid 7.18
    diethyl ether 91.09
    m-xylene 65.65
    p-xylene 92.51
    chlorobenzene 162.97
    dimethyl carbonate 43.18
    n-octane 11.71
    formamide 15.24
    cyclopentanone 375.26
    2-pentanone 165.49
    anisole 125.22
    cyclopentyl methyl ether 241.36
    gamma-butyrolactone 331.15
    1-methoxy-2-propanol 51.23
    pyridine 200.21
    3-pentanone 151.79
    furfural 199.1
    n-dodecane 6.39
    diethylene glycol 15.42
    diisopropyl ether 51.34
    tert-amyl alcohol 50.32
    acetylacetone 202.28
    n-hexadecane 7.96
    acetophenone 165.74
    methyl propionate 111.95
    isopentyl acetate 175.55
    trichloroethylene 613.53
    n-nonanol 47.04
    cyclohexanol 84.46
    benzyl alcohol 51.84
    2-ethylhexanol 41.07
    isooctanol 47.45
    dipropyl ether 111.43
    1,2-dichlorobenzene 215.73
    ethyl lactate 52.89
    propylene carbonate 201.65
    n-methylformamide 32.57
    2-pentanol 31.16
    n-pentane 14.32
    1-propoxy-2-propanol 74.23
    1-methoxy-2-propyl acetate 158.96
    2-(2-methoxypropoxy) propanol 103.05
    mesitylene 50.27
    ε-caprolactone 432.15
    p-cymene 51.08
    epichlorohydrin 402.5
    1,1,1-trichloroethane 431.67
    2-aminoethanol 4.82
    morpholine-4-carbaldehyde 194.78
    sulfolane 482.49
    2,2,4-trimethylpentane 18.06
    2-methyltetrahydrofuran 343.5
    n-hexyl acetate 231.42
    isooctane 8.52
    2-(2-butoxyethoxy)ethanol 123.07
    sec-butyl acetate 164.12
    tert-butyl acetate 205.36
    decalin 33.83
    glycerin 5.89
    diglyme 325.29
    acrylic acid 25.63
    isopropyl myristate 79.82
    n-butyric acid 110.4
    acetyl acetate 109.26
    di(2-ethylhexyl) phthalate 62.22
    ethyl propionate 166.05
    nitromethane 86.03
    1,2-diethoxyethane 198.18
    benzonitrile 77.34
    trioctyl phosphate 43.87
    1-bromopropane 218.25
    gamma-valerolactone 448.53
    n-decanol 28.97
    triethyl phosphate 106.74
    4-methyl-2-pentanol 28.3
    propionitrile 37.85
    vinylene carbonate 148.8
    1,1,2-trichlorotrifluoroethane 207.97
    DMS 109.12
    cumene 50.63
    2-octanol 38.7
    2-hexanone 160.04
    octyl acetate 92.6
    limonene 89.75
    1,2-dimethoxyethane 157.31
    ethyl orthosilicate 114.07
    tributyl phosphate 60.45
    diacetone alcohol 122.49
    N,N-dimethylaniline 96.9
    acrylonitrile 34.3
    aniline 61.88
    1,3-propanediol 12.68
    bromobenzene 216.11
    dibromomethane 385.58
    1,1,2,2-tetrachloroethane 598.28
    2-methyl-cyclohexyl acetate 174.25
    tetrabutyl urea 100.86
    diisobutyl methanol 38.35
    2-phenylethanol 51.17
    styrene 75.41
    dioctyl adipate 132.48
    dimethyl sulfate 106.84
    ethyl butyrate 193.78
    methyl lactate 35.63
    butyl lactate 121.49
    diethyl carbonate 108.01
    propanediol butyl ether 53.99
    triethyl orthoformate 159.82
    p-tert-butyltoluene 46.03
    methyl 4-tert-butylbenzoate 194.13
    morpholine 166.08
    tert-butylamine 23.71
    n-dodecanol 19.85
    dimethoxymethane 80.75
    ethylene carbonate 141.54
    cyrene 114.9
    2-ethoxyethyl acetate 273.06
    2-ethylhexyl acetate 165.78
    1,2,4-trichlorobenzene 259.34
    4-methylpyridine 187.12
    dibutyl ether 137.74
    2,6-dimethyl-4-heptanol 38.35
    DEF 194.25
    dimethyl isosorbide 275.77
    tetrachloroethylene 345.35
    eugenol 122.8
    triacetin 238.27
    span 80 98.85
    1,4-butanediol 6.32
    1,1-dichloroethane 283.95
    2-methyl-1-pentanol 45.75
    methyl formate 26.42
    2-methyl-1-butanol 42.07
    n-decane 15.78
    butyronitrile 54.46
    3,7-dimethyl-1-octanol 49.2
    1-chlorooctane 70.36
    1-chlorotetradecane 21.3
    n-nonane 14.75
    undecane 9.38
    tert-butylcyclohexane 22.55
    cyclooctane 25.98
    cyclopentanol 68.63
    tetrahydropyran 268.93
    tert-amyl methyl ether 118.1
    2,5,8-trioxanonane 182.87
    1-hexene 48.73
    2-isopropoxyethanol 54.96
    2,2,2-trifluoroethanol 22.54
    methyl butyrate 218.1

    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