(5S)-3-[(2R,8R)-2,8-Dihydroxy-9-[(2S,5S)-tetrahydro-5-[(1S)-1,4,5-trihydroxyheptadecyl]-2-furanyl]nonyl]-5-methyl-2(5H)-furanone

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  • Identifiers

    CAS number
    184093-46-7

    Molecular formula
    C35H64O8

    SMILES
    CCCCCCCCCCCCC(C(CC[C@@H]([C@@H]1CC[C@H](O1)C[C@@H](CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 38.21%
    Odorless 36.69%
    Lactonic 33.57%
    Sweet 31.4%
    Fruity 30.73%
    Peach 30.1%
    Fresh 27.93%
    Milky 27.84%
    Fatty 27.38%
    Buttery 26.17%

     

    Flavor
    Odorless 34.03%
    Bland 29.75%
    Mild 29.4%
    Fatty 28.08%
    Bitter 24.66%
    Sweet-like 22.88%
    Waxy 21.7%
    Herbal 21.16%
    Cedarleaf 20.74%
    Slightly waxy 20.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    8.53 (weak base)

    Molecular weight
    612.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2099°C

    Flash point

    • 257.02 ˚C est.

  • Synonyms

    • 184093-46-7
    • (5S)-3-[(2R,8R)-2,8-Dihydroxy-9-[(2S,5S)-tetrahydro-5-[(1S)-1,4,5-trihydroxyheptadecyl]-2-furanyl]nonyl]-5-methyl-2(5H)-furanone
    • (5S)-3-((2R,8R)-2,8-Dihydroxy-9-((2S,5S)-tetrahydro-5-((1S)-1,4,5-trihydroxyheptadecyl)-2-furanyl)nonyl)-5-methyl-2(5H)-furanone
    • RefChem:209626
    • Annopentocin C
    • DTXSID501103074
    • (5S)-3-[(2R,8R)-2,8-dihydroxy-9-[(2S,5S)-5-[(1S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-5-methyl-2,5-dihydrofuran-2-one
    • 184093-46-7

  • Applications

    CAS 184093-46-7 and the chemical name (5S)-3-[(2R,8R)-2,8-Dihydroxy-9-[(2S,5S)-tetrahydro-5-[(1S)-1,4,5-trihydroxyheptadecyl]-2-furanyl]nonyl]-5-methyl-2(5H)-furanone are evaluated for real-world applications such as a fragrance ingredient and potential fragrance fixative in perfumery; in cosmetics and personal care it may serve as a fragrance component or functional ingredient in formulations; in household products and cleaners it can enhance fragrance profiles; at the industrial level it is viewed as a specialty chemical intermediate or building block for organic synthesis toward polymers and coatings; and it can be considered as a niche additive for other industrial formulations depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.78
    methanol 14.44
    isopropanol 2.5
    water 0.13
    ethyl acetate 6.96
    n-propanol 6.58
    acetone 12.08
    n-butanol 4.93
    acetonitrile 2.42
    DMF 35.79
    toluene 2.62
    isobutanol 3.36
    1,4-dioxane 20.08
    methyl acetate 6.6
    THF 73.29
    2-butanone 12.31
    n-pentanol 4.9
    sec-butanol 3.8
    n-hexane 0.22
    ethylene glycol 1.67
    NMP 94.82
    cyclohexane 0.39
    DMSO 65.95
    n-butyl acetate 6.0
    n-octanol 7.73
    chloroform 22.61
    n-propyl acetate 6.3
    acetic acid 28.2
    dichloromethane 20.83
    cyclohexanone 33.3
    propylene glycol 3.84
    isopropyl acetate 6.64
    DMAc 85.59
    2-ethoxyethanol 21.7
    isopentanol 3.91
    n-heptane 0.28
    ethyl formate 7.73
    1,2-dichloroethane 9.97
    n-hexanol 3.62
    2-methoxyethanol 28.01
    isobutyl acetate 4.45
    tetrachloromethane 3.01
    n-pentyl acetate 16.55
    transcutol 85.52
    n-heptanol 7.17
    ethylbenzene 2.17
    MIBK 7.06
    2-propoxyethanol 20.99
    tert-butanol 2.83
    MTBE 4.14
    2-butoxyethanol 29.23
    propionic acid 10.44
    o-xylene 2.65
    formic acid 16.06
    diethyl ether 3.3
    m-xylene 2.12
    p-xylene 2.29
    chlorobenzene 4.29
    dimethyl carbonate 8.02
    n-octane 0.24
    formamide 17.55
    cyclopentanone 46.13
    2-pentanone 10.4
    anisole 6.87
    cyclopentyl methyl ether 16.13
    gamma-butyrolactone 51.71
    1-methoxy-2-propanol 21.49
    pyridine 15.42
    3-pentanone 8.55
    furfural 41.64
    n-dodecane 0.19
    diethylene glycol 11.37
    diisopropyl ether 1.13
    tert-amyl alcohol 4.66
    acetylacetone 18.86
    n-hexadecane 0.22
    acetophenone 11.78
    methyl propionate 9.43
    isopentyl acetate 6.94
    trichloroethylene 25.81
    n-nonanol 8.23
    cyclohexanol 6.54
    benzyl alcohol 7.88
    2-ethylhexanol 2.74
    isooctanol 5.61
    dipropyl ether 3.84
    1,2-dichlorobenzene 5.76
    ethyl lactate 8.77
    propylene carbonate 22.5
    n-methylformamide 16.64
    2-pentanol 2.57
    n-pentane 0.18
    1-propoxy-2-propanol 15.25
    1-methoxy-2-propyl acetate 14.56
    2-(2-methoxypropoxy) propanol 24.98
    mesitylene 1.24
    ε-caprolactone 40.81
    p-cymene 1.58
    epichlorohydrin 47.33
    1,1,1-trichloroethane 7.49
    2-aminoethanol 5.6
    morpholine-4-carbaldehyde 67.5
    sulfolane 106.21
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 22.97
    n-hexyl acetate 19.66
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 37.85
    sec-butyl acetate 4.97
    tert-butyl acetate 9.2
    decalin 0.44
    glycerin 9.8
    diglyme 64.23
    acrylic acid 11.55
    isopropyl myristate 4.89
    n-butyric acid 17.44
    acetyl acetate 7.43
    di(2-ethylhexyl) phthalate 7.78
    ethyl propionate 6.36
    nitromethane 34.37
    1,2-diethoxyethane 13.53
    benzonitrile 5.38
    trioctyl phosphate 5.93
    1-bromopropane 3.63
    gamma-valerolactone 99.61
    n-decanol 4.49
    triethyl phosphate 5.8
    4-methyl-2-pentanol 1.99
    propionitrile 2.48
    vinylene carbonate 21.0
    1,1,2-trichlorotrifluoroethane 56.66
    DMS 9.78
    cumene 1.68
    2-octanol 4.37
    2-hexanone 8.5
    octyl acetate 8.36
    limonene 2.5
    1,2-dimethoxyethane 27.92
    ethyl orthosilicate 5.91
    tributyl phosphate 6.14
    diacetone alcohol 17.08
    N,N-dimethylaniline 6.66
    acrylonitrile 4.23
    aniline 4.97
    1,3-propanediol 8.5
    bromobenzene 4.07
    dibromomethane 9.19
    1,1,2,2-tetrachloroethane 25.53
    2-methyl-cyclohexyl acetate 8.94
    tetrabutyl urea 10.21
    diisobutyl methanol 1.61
    2-phenylethanol 6.99
    styrene 2.0
    dioctyl adipate 10.55
    dimethyl sulfate 25.15
    ethyl butyrate 6.14
    methyl lactate 14.0
    butyl lactate 19.46
    diethyl carbonate 3.84
    propanediol butyl ether 26.24
    triethyl orthoformate 8.05
    p-tert-butyltoluene 1.53
    methyl 4-tert-butylbenzoate 23.84
    morpholine 33.02
    tert-butylamine 1.27
    n-dodecanol 2.48
    dimethoxymethane 23.91
    ethylene carbonate 16.69
    cyrene 32.19
    2-ethoxyethyl acetate 27.86
    2-ethylhexyl acetate 5.45
    1,2,4-trichlorobenzene 8.49
    4-methylpyridine 10.97
    dibutyl ether 5.65
    2,6-dimethyl-4-heptanol 1.61
    DEF 17.99
    dimethyl isosorbide 40.76
    tetrachloroethylene 16.56
    eugenol 21.83
    triacetin 27.12
    span 80 24.09
    1,4-butanediol 3.91
    1,1-dichloroethane 5.69
    2-methyl-1-pentanol 4.83
    methyl formate 12.89
    2-methyl-1-butanol 4.73
    n-decane 0.48
    butyronitrile 2.89
    3,7-dimethyl-1-octanol 5.09
    1-chlorooctane 3.2
    1-chlorotetradecane 0.84
    n-nonane 0.39
    undecane 0.28
    tert-butylcyclohexane 0.3
    cyclooctane 0.23
    cyclopentanol 9.27
    tetrahydropyran 15.29
    tert-amyl methyl ether 5.24
    2,5,8-trioxanonane 38.87
    1-hexene 1.0
    2-isopropoxyethanol 13.25
    2,2,2-trifluoroethanol 14.14
    methyl butyrate 9.76

    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