Annonin XIV

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  • Identifiers

    CAS number
    129138-52-9

    Molecular formula
    C37H66O8

    SMILES
    CCCCCCCCCCC(C1CC(C(O1)C2C(CC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 38.57%
    Oily 35.55%
    Waxy 35.43%
    Fatty 30.33%
    Lactonic 28.92%
    Milky 26.19%
    Fresh 25.03%
    Citrus 24.75%
    Peach 24.52%
    Sweet 23.85%

     

    Flavor
    Fatty 32.69%
    Bland 30.87%
    Waxy 28.9%
    Mild 27.07%
    Odorless 26.39%
    Oily 22.94%
    Bitter 21.92%
    Slightly waxy 21.37%
    Cedarleaf 21.27%
    Sweet-like 21.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.3

    pKa est.
    7.33 (neutral)

    Molecular weight
    638.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2020°C

    Flash point

    • 241.77 ˚C est.

  • Synonyms

    • Annonin XIV
    • DTXSID801105398
    • 129138-52-9
    • 2(5H)-Furanone, 3-[13-hydroxy-13-[octahydro-3,3a(2)-dihydroxy-5a(2)-(1-hydroxyundecyl)[2,2a(2)-bifuran]-5-yl]tridecyl]-5-methyl-
    • 129138-52-9

  • Applications

    Annonin XIV (CAS 129138-52-9) is a complex natural product in the annonane acetogenin class, primarily encountered as a specialized chemical for research and as a synthetic building block. It is used as an intermediate in organic synthesis to enable the preparation of more complex molecules, and it is evaluated in pharmaceutical and biological research for its potential bioactivity. It is also studied in agriculture as a potential lead compound for biologically active agents, including pest-control applications, though no commercial product has been established. In analytical chemistry, it can serve as a reference material or standard for methods such as NMR or GC-MS, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.84
    methanol 12.29
    isopropanol 8.41
    water 0.19
    ethyl acetate 43.64
    n-propanol 16.34
    acetone 36.95
    n-butanol 16.46
    acetonitrile 10.46
    DMF 67.09
    toluene 14.08
    isobutanol 10.73
    1,4-dioxane 50.47
    methyl acetate 34.73
    THF 138.62
    2-butanone 50.86
    n-pentanol 13.82
    sec-butanol 14.45
    n-hexane 1.07
    ethylene glycol 2.76
    NMP 217.23
    cyclohexane 2.18
    DMSO 87.91
    n-butyl acetate 27.9
    n-octanol 16.54
    chloroform 106.88
    n-propyl acetate 27.87
    acetic acid 65.51
    dichloromethane 93.13
    cyclohexanone 111.99
    propylene glycol 6.52
    isopropyl acetate 34.03
    DMAc 173.3
    2-ethoxyethanol 41.73
    isopentanol 13.24
    n-heptane 1.25
    ethyl formate 29.19
    1,2-dichloroethane 46.76
    n-hexanol 11.52
    2-methoxyethanol 45.67
    isobutyl acetate 16.88
    tetrachloromethane 16.83
    n-pentyl acetate 53.03
    transcutol 136.25
    n-heptanol 16.26
    ethylbenzene 8.95
    MIBK 26.18
    2-propoxyethanol 43.1
    tert-butanol 9.63
    MTBE 16.47
    2-butoxyethanol 55.13
    propionic acid 36.28
    o-xylene 13.28
    formic acid 23.17
    diethyl ether 16.51
    m-xylene 10.81
    p-xylene 10.01
    chlorobenzene 25.91
    dimethyl carbonate 31.98
    n-octane 0.89
    formamide 31.15
    cyclopentanone 140.62
    2-pentanone 45.8
    anisole 21.78
    cyclopentyl methyl ether 53.07
    gamma-butyrolactone 162.03
    1-methoxy-2-propanol 43.79
    pyridine 55.73
    3-pentanone 40.94
    furfural 113.45
    n-dodecane 0.71
    diethylene glycol 19.36
    diisopropyl ether 5.64
    tert-amyl alcohol 17.21
    acetylacetone 66.95
    n-hexadecane 0.84
    acetophenone 37.66
    methyl propionate 48.31
    isopentyl acetate 28.94
    trichloroethylene 119.75
    n-nonanol 18.03
    cyclohexanol 25.26
    benzyl alcohol 22.41
    2-ethylhexanol 9.57
    isooctanol 13.31
    dipropyl ether 12.92
    1,2-dichlorobenzene 30.96
    ethyl lactate 26.61
    propylene carbonate 88.31
    n-methylformamide 37.32
    2-pentanol 12.14
    n-pentane 1.11
    1-propoxy-2-propanol 36.27
    1-methoxy-2-propyl acetate 49.23
    2-(2-methoxypropoxy) propanol 45.72
    mesitylene 5.71
    ε-caprolactone 144.1
    p-cymene 6.72
    epichlorohydrin 141.27
    1,1,1-trichloroethane 48.38
    2-aminoethanol 8.94
    morpholine-4-carbaldehyde 138.79
    sulfolane 240.94
    2,2,4-trimethylpentane 1.28
    2-methyltetrahydrofuran 78.83
    n-hexyl acetate 52.95
    isooctane 0.57
    2-(2-butoxyethoxy)ethanol 62.87
    sec-butyl acetate 23.23
    tert-butyl acetate 35.26
    decalin 1.86
    glycerin 13.95
    diglyme 111.06
    acrylic acid 34.81
    isopropyl myristate 14.16
    n-butyric acid 66.76
    acetyl acetate 38.56
    di(2-ethylhexyl) phthalate 18.7
    ethyl propionate 30.61
    nitromethane 93.96
    1,2-diethoxyethane 34.72
    benzonitrile 21.0
    trioctyl phosphate 14.88
    1-bromopropane 20.81
    gamma-valerolactone 234.99
    n-decanol 10.33
    triethyl phosphate 20.51
    4-methyl-2-pentanol 7.32
    propionitrile 11.65
    vinylene carbonate 79.09
    1,1,2-trichlorotrifluoroethane 136.57
    DMS 34.44
    cumene 6.58
    2-octanol 11.97
    2-hexanone 29.89
    octyl acetate 23.38
    limonene 10.85
    1,2-dimethoxyethane 53.27
    ethyl orthosilicate 19.58
    tributyl phosphate 17.53
    diacetone alcohol 45.4
    N,N-dimethylaniline 17.88
    acrylonitrile 17.35
    aniline 21.8
    1,3-propanediol 16.69
    bromobenzene 26.07
    dibromomethane 49.6
    1,1,2,2-tetrachloroethane 106.98
    2-methyl-cyclohexyl acetate 28.09
    tetrabutyl urea 25.13
    diisobutyl methanol 5.52
    2-phenylethanol 19.88
    styrene 9.12
    dioctyl adipate 28.58
    dimethyl sulfate 81.53
    ethyl butyrate 27.5
    methyl lactate 41.93
    butyl lactate 49.34
    diethyl carbonate 17.03
    propanediol butyl ether 41.89
    triethyl orthoformate 26.23
    p-tert-butyltoluene 6.31
    methyl 4-tert-butylbenzoate 55.39
    morpholine 76.17
    tert-butylamine 4.77
    n-dodecanol 6.2
    dimethoxymethane 49.1
    ethylene carbonate 66.48
    cyrene 62.93
    2-ethoxyethyl acetate 77.85
    2-ethylhexyl acetate 23.99
    1,2,4-trichlorobenzene 43.0
    4-methylpyridine 45.37
    dibutyl ether 16.31
    2,6-dimethyl-4-heptanol 5.52
    DEF 66.31
    dimethyl isosorbide 76.65
    tetrachloroethylene 66.77
    eugenol 44.62
    triacetin 72.54
    span 80 44.77
    1,4-butanediol 7.95
    1,1-dichloroethane 36.75
    2-methyl-1-pentanol 13.94
    methyl formate 29.54
    2-methyl-1-butanol 15.75
    n-decane 1.76
    butyronitrile 12.89
    3,7-dimethyl-1-octanol 12.56
    1-chlorooctane 10.59
    1-chlorotetradecane 2.83
    n-nonane 1.39
    undecane 1.05
    tert-butylcyclohexane 1.3
    cyclooctane 1.16
    cyclopentanol 31.79
    tetrahydropyran 52.84
    tert-amyl methyl ether 21.85
    2,5,8-trioxanonane 67.31
    1-hexene 4.53
    2-isopropoxyethanol 29.15
    2,2,2-trifluoroethanol 42.93
    methyl butyrate 41.56

    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