Annonsilin A

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  • Identifiers

    CAS number
    164177-57-5

    Molecular formula
    C37H66O7

    SMILES
    CCCCCCCCCCC(C(CCC(C1CCC(O1)C2CCC(O2)CCCCCCCCCC3=CC(OC3=O)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 35.76%
    Odorless 32.34%
    Lactonic 31.05%
    Waxy 30.43%
    Fruity 29.6%
    Peach 29.2%
    Fatty 28.03%
    Fresh 27.23%
    Milky 25.82%
    Sweet 25.07%

     

    Flavor
    Fatty 31.75%
    Bland 28.64%
    Waxy 27.27%
    Mild 26.86%
    Odorless 25.39%
    Oily 24.32%
    Herbal 21.22%
    Slightly waxy 21.0%
    Cedarleaf 20.99%
    Sweet-like 20.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    8.05 (weak base)

    Molecular weight
    622.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1523°C

    Melting point expt.

    • 107 - 109 °C

    Flash point

    • 237.3 ˚C est.

  • Synonyms

    • Annonsilin A
    • CHEBI:192173
    • DTXSID001114616
    • 164177-57-5
    • 2(5H)-Furanone, 5-methyl-3-[9-[octahydro-5a(2)-(1,4,5-trihydroxypentadecyl)[2,2a(2)-bifuran]-5-yl]nonyl]-
    • 2-methyl-4-[9-[5-[5-(1,4,5-trihydroxypentadecyl)oxolan-2-yl]oxolan-2-yl]nonyl]-2H-uran-5-one
    • 5-Methyl-3-{9-[5'-(1,4,5-trihydroxypentadecyl)[2,2'-bioxolan]-5-yl]nonyl}furan-2(5H)-one
    • 164177-57-5

  • Applications

    Annonsilin A (CAS 164177-57-5) is used as an organic synthesis intermediate, particularly in pharmaceuticals and fine chemicals; may function as a solvent or co-solvent in specialty formulations; is a precursor or building block for fragrance compounds in perfumery and cosmetics; is evaluated as a fragrance carrier for cosmetic and fragrance ingredients; and may serve as a processing aid or additive in the polymer and plastics sector, coatings, and inks depending on formulation and product requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.06
    methanol 11.95
    isopropanol 4.19
    water 0.15
    ethyl acetate 25.79
    n-propanol 9.85
    acetone 21.85
    n-butanol 10.29
    acetonitrile 6.63
    DMF 39.48
    toluene 11.85
    isobutanol 6.5
    1,4-dioxane 40.6
    methyl acetate 19.41
    THF 105.06
    2-butanone 29.83
    n-pentanol 9.71
    sec-butanol 7.6
    n-hexane 0.75
    ethylene glycol 1.52
    NMP 155.78
    cyclohexane 1.51
    DMSO 50.22
    n-butyl acetate 19.0
    n-octanol 15.01
    chloroform 95.86
    n-propyl acetate 20.03
    acetic acid 36.66
    dichloromethane 88.24
    cyclohexanone 79.52
    propylene glycol 3.47
    isopropyl acetate 21.07
    DMAc 119.23
    2-ethoxyethanol 32.48
    isopentanol 9.1
    n-heptane 0.99
    ethyl formate 17.92
    1,2-dichloroethane 36.42
    n-hexanol 7.96
    2-methoxyethanol 35.02
    isobutyl acetate 13.18
    tetrachloromethane 12.52
    n-pentyl acetate 48.53
    transcutol 145.39
    n-heptanol 14.51
    ethylbenzene 8.19
    MIBK 19.68
    2-propoxyethanol 35.23
    tert-butanol 5.09
    MTBE 10.98
    2-butoxyethanol 50.69
    propionic acid 20.34
    o-xylene 10.59
    formic acid 17.06
    diethyl ether 10.78
    m-xylene 9.0
    p-xylene 8.47
    chlorobenzene 21.6
    dimethyl carbonate 19.69
    n-octane 0.7
    formamide 20.59
    cyclopentanone 95.33
    2-pentanone 27.84
    anisole 20.26
    cyclopentyl methyl ether 41.82
    gamma-butyrolactone 120.92
    1-methoxy-2-propanol 31.35
    pyridine 42.58
    3-pentanone 25.68
    furfural 89.94
    n-dodecane 0.57
    diethylene glycol 15.0
    diisopropyl ether 4.04
    tert-amyl alcohol 9.62
    acetylacetone 44.77
    n-hexadecane 0.69
    acetophenone 31.63
    methyl propionate 28.19
    isopentyl acetate 21.28
    trichloroethylene 100.01
    n-nonanol 16.65
    cyclohexanol 15.79
    benzyl alcohol 18.07
    2-ethylhexanol 7.63
    isooctanol 12.34
    dipropyl ether 10.89
    1,2-dichlorobenzene 28.01
    ethyl lactate 18.8
    propylene carbonate 61.15
    n-methylformamide 21.87
    2-pentanol 6.72
    n-pentane 0.66
    1-propoxy-2-propanol 28.62
    1-methoxy-2-propyl acetate 38.62
    2-(2-methoxypropoxy) propanol 43.59
    mesitylene 4.92
    ε-caprolactone 109.97
    p-cymene 6.0
    epichlorohydrin 110.6
    1,1,1-trichloroethane 32.68
    2-aminoethanol 5.73
    morpholine-4-carbaldehyde 109.51
    sulfolane 178.77
    2,2,4-trimethylpentane 0.95
    2-methyltetrahydrofuran 57.42
    n-hexyl acetate 48.44
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 61.37
    sec-butyl acetate 16.86
    tert-butyl acetate 26.52
    decalin 1.69
    glycerin 9.46
    diglyme 117.78
    acrylic acid 20.72
    isopropyl myristate 12.75
    n-butyric acid 39.05
    acetyl acetate 25.38
    di(2-ethylhexyl) phthalate 17.44
    ethyl propionate 21.56
    nitromethane 57.69
    1,2-diethoxyethane 33.56
    benzonitrile 16.27
    trioctyl phosphate 12.97
    1-bromopropane 14.95
    gamma-valerolactone 189.91
    n-decanol 9.1
    triethyl phosphate 16.68
    4-methyl-2-pentanol 5.15
    propionitrile 7.22
    vinylene carbonate 56.11
    1,1,2-trichlorotrifluoroethane 105.88
    DMS 26.92
    cumene 5.86
    2-octanol 9.95
    2-hexanone 21.52
    octyl acetate 20.59
    limonene 8.99
    1,2-dimethoxyethane 43.99
    ethyl orthosilicate 16.69
    tributyl phosphate 14.64
    diacetone alcohol 32.66
    N,N-dimethylaniline 16.3
    acrylonitrile 11.16
    aniline 15.49
    1,3-propanediol 10.62
    bromobenzene 23.31
    dibromomethane 42.05
    1,1,2,2-tetrachloroethane 85.44
    2-methyl-cyclohexyl acetate 24.28
    tetrabutyl urea 21.67
    diisobutyl methanol 4.55
    2-phenylethanol 16.8
    styrene 8.2
    dioctyl adipate 25.54
    dimethyl sulfate 52.64
    ethyl butyrate 20.1
    methyl lactate 25.86
    butyl lactate 42.23
    diethyl carbonate 12.7
    propanediol butyl ether 36.43
    triethyl orthoformate 22.81
    p-tert-butyltoluene 5.5
    methyl 4-tert-butylbenzoate 54.45
    morpholine 60.53
    tert-butylamine 2.79
    n-dodecanol 5.24
    dimethoxymethane 38.11
    ethylene carbonate 47.61
    cyrene 54.39
    2-ethoxyethyl acetate 72.77
    2-ethylhexyl acetate 18.68
    1,2,4-trichlorobenzene 38.12
    4-methylpyridine 34.51
    dibutyl ether 15.35
    2,6-dimethyl-4-heptanol 4.55
    DEF 44.59
    dimethyl isosorbide 78.78
    tetrachloroethylene 56.16
    eugenol 44.55
    triacetin 68.56
    span 80 41.77
    1,4-butanediol 5.09
    1,1-dichloroethane 24.73
    2-methyl-1-pentanol 10.51
    methyl formate 17.67
    2-methyl-1-butanol 10.83
    n-decane 1.5
    butyronitrile 8.32
    3,7-dimethyl-1-octanol 11.35
    1-chlorooctane 9.36
    1-chlorotetradecane 2.41
    n-nonane 1.16
    undecane 0.86
    tert-butylcyclohexane 1.12
    cyclooctane 0.94
    cyclopentanol 18.25
    tetrahydropyran 39.42
    tert-amyl methyl ether 15.65
    2,5,8-trioxanonane 68.27
    1-hexene 3.17
    2-isopropoxyethanol 22.85
    2,2,2-trifluoroethanol 24.49
    methyl butyrate 28.71

    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