Physalin A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    23027-91-0

    Molecular formula
    C28H30O10

    SMILES
    C[C@]12C[C@H]([C@]3([C@]45[C@H]1C(=O)[C@](O4)([C@H]6[C@H](CC[C@@]5(C(=O)O3)O)[C@@]7(C(=C[C@H]6O)CC=CC7=O)C)O)C)OC(=O)C2=C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.71%
    Sweet 37.77%
    Spicy 29.89%
    Woody 27.48%
    Caramellic 26.57%
    Burnt 26.1%
    Nutty 23.21%
    Tobacco 18.93%
    Roasted 18.07%
    Mint 17.88%

     

    Flavor
    Bitter 94.76%
    Cedarleaf 20.51%
    Sweet-like 20.18%
    Bland 18.99%
    Lovage 18.94%
    Fenugreek 18.91%
    Ripe apricot 18.57%
    Parsley 18.36%
    Red fruit 18.33%
    Seedy 18.17%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.95 (weak acid)

    Molecular weight
    526.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    1985°C

    Flash point

    • 226.58 ˚C est.

  • Synonyms

    • Physalin A
    • 23027-91-0
    • DTXSID401318470
    • RefChem:929220
    • DTXCID201748609
    • 5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo(20.3.1.12,5.03,18.03,21.06,15.09,14)heptacosa-8,11-diene-13,19,24,27-tetrone
    • (1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
    • CHEMBL504741
    • orb1681906
    • SCHEMBL29449472
    • CHEBI:191715
    • HY-N9942
    • BDBM50437351
    • AKOS040762186
    • MS-29744
    • CS-0226282
    • NS00093768
    • (1S,2S,6R,6aS,8aR,10aS,10bR,16R,16aS,17R,18aR)-8a,16,17-Trihydroxy-2,6a,10b-trimethyl-3-methylidene-2,3,6,6a,9,10,10a,10b,14,16,16a,17-dodecahydro-8H-1,17:2,6-dimethanonaphtho[1,2-f]furo[3,4-b:2,3-c']bisoxocine-4,8,11,19(1H,8aH)-tetrone
    • 23027-91-0

  • Applications

    Physalin A (CAS 23027-91-0) is primarily of interest in pharmaceutical research as a bioactive natural product and a scaffold for structure–activity investigations; it is commonly evaluated as a lead compound or chemical probe for reported activities such as anti-inflammatory, antiviral, and anticancer effects. It also serves as a synthetic intermediate or starting point for the semi-synthesis of related steroidal lactones, enabling derivatization to access analogs. In natural product chemistry, it functions as a reference scaffold and analytical standard to support isolation, structure elucidation, and SAR studies of Physalis-derived metabolites. These applications are typically pursued in academic and industrial research settings under applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.63
    methanol 44.73
    isopropanol 15.56
    water 3.64
    ethyl acetate 16.76
    n-propanol 17.13
    acetone 69.51
    n-butanol 14.02
    acetonitrile 26.03
    DMF 130.91
    toluene 4.75
    isobutanol 9.58
    1,4-dioxane 45.62
    methyl acetate 23.68
    THF 87.03
    2-butanone 33.11
    n-pentanol 8.14
    sec-butanol 8.63
    n-hexane 0.26
    ethylene glycol 21.27
    NMP 87.64
    cyclohexane 0.6
    DMSO 194.11
    n-butyl acetate 8.92
    n-octanol 3.63
    chloroform 22.67
    n-propyl acetate 8.83
    acetic acid 69.85
    dichloromethane 21.62
    cyclohexanone 45.83
    propylene glycol 14.19
    isopropyl acetate 10.08
    DMAc 90.9
    2-ethoxyethanol 31.86
    isopentanol 8.63
    n-heptane 0.24
    ethyl formate 19.96
    1,2-dichloroethane 16.97
    n-hexanol 7.16
    2-methoxyethanol 77.58
    isobutyl acetate 4.32
    tetrachloromethane 4.7
    n-pentyl acetate 8.53
    transcutol 18.08
    n-heptanol 5.62
    ethylbenzene 1.86
    MIBK 10.69
    2-propoxyethanol 35.5
    tert-butanol 10.19
    MTBE 3.88
    2-butoxyethanol 18.57
    propionic acid 23.05
    o-xylene 2.79
    formic acid 55.22
    diethyl ether 9.59
    m-xylene 2.58
    p-xylene 2.28
    chlorobenzene 6.31
    dimethyl carbonate 27.32
    n-octane 0.17
    formamide 77.7
    cyclopentanone 80.28
    2-pentanone 25.77
    anisole 4.99
    cyclopentyl methyl ether 13.95
    gamma-butyrolactone 76.39
    1-methoxy-2-propanol 44.64
    pyridine 28.48
    3-pentanone 17.65
    furfural 46.43
    n-dodecane 0.13
    diethylene glycol 43.97
    diisopropyl ether 1.67
    tert-amyl alcohol 5.97
    acetylacetone 37.21
    n-hexadecane 0.15
    acetophenone 8.96
    methyl propionate 22.72
    isopentyl acetate 6.04
    trichloroethylene 30.92
    n-nonanol 3.89
    cyclohexanol 9.72
    benzyl alcohol 9.47
    2-ethylhexanol 2.8
    isooctanol 3.69
    dipropyl ether 4.01
    1,2-dichlorobenzene 5.31
    ethyl lactate 8.97
    propylene carbonate 23.07
    n-methylformamide 68.17
    2-pentanol 5.9
    n-pentane 0.43
    1-propoxy-2-propanol 16.35
    1-methoxy-2-propyl acetate 14.6
    2-(2-methoxypropoxy) propanol 10.76
    mesitylene 1.37
    ε-caprolactone 28.71
    p-cymene 1.25
    epichlorohydrin 59.37
    1,1,1-trichloroethane 9.64
    2-aminoethanol 23.17
    morpholine-4-carbaldehyde 84.29
    sulfolane 100.41
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 19.89
    n-hexyl acetate 7.99
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 14.65
    sec-butyl acetate 4.42
    tert-butyl acetate 7.55
    decalin 0.23
    glycerin 38.02
    diglyme 27.33
    acrylic acid 30.54
    isopropyl myristate 2.75
    n-butyric acid 24.96
    acetyl acetate 16.05
    di(2-ethylhexyl) phthalate 5.16
    ethyl propionate 8.39
    nitromethane 116.32
    1,2-diethoxyethane 7.72
    benzonitrile 9.91
    trioctyl phosphate 4.27
    1-bromopropane 5.49
    gamma-valerolactone 108.41
    n-decanol 2.57
    triethyl phosphate 3.95
    4-methyl-2-pentanol 3.27
    propionitrile 16.83
    vinylene carbonate 27.66
    1,1,2-trichlorotrifluoroethane 52.46
    DMS 10.99
    cumene 1.19
    2-octanol 3.02
    2-hexanone 11.71
    octyl acetate 4.58
    limonene 1.7
    1,2-dimethoxyethane 36.23
    ethyl orthosilicate 3.2
    tributyl phosphate 3.7
    diacetone alcohol 18.22
    N,N-dimethylaniline 3.97
    acrylonitrile 28.02
    aniline 9.73
    1,3-propanediol 35.99
    bromobenzene 4.69
    dibromomethane 11.98
    1,1,2,2-tetrachloroethane 21.54
    2-methyl-cyclohexyl acetate 5.24
    tetrabutyl urea 6.53
    diisobutyl methanol 1.7
    2-phenylethanol 9.13
    styrene 2.25
    dioctyl adipate 5.18
    dimethyl sulfate 44.91
    ethyl butyrate 5.91
    methyl lactate 27.53
    butyl lactate 9.39
    diethyl carbonate 4.6
    propanediol butyl ether 12.97
    triethyl orthoformate 4.51
    p-tert-butyltoluene 1.1
    methyl 4-tert-butylbenzoate 9.07
    morpholine 48.38
    tert-butylamine 3.29
    n-dodecanol 1.69
    dimethoxymethane 72.78
    ethylene carbonate 24.3
    cyrene 21.59
    2-ethoxyethyl acetate 14.65
    2-ethylhexyl acetate 4.55
    1,2,4-trichlorobenzene 7.99
    4-methylpyridine 18.92
    dibutyl ether 2.22
    2,6-dimethyl-4-heptanol 1.7
    DEF 26.05
    dimethyl isosorbide 17.81
    tetrachloroethylene 17.44
    eugenol 10.86
    triacetin 9.88
    span 80 10.13
    1,4-butanediol 14.57
    1,1-dichloroethane 10.57
    2-methyl-1-pentanol 5.03
    methyl formate 57.06
    2-methyl-1-butanol 7.56
    n-decane 0.25
    butyronitrile 13.17
    3,7-dimethyl-1-octanol 2.24
    1-chlorooctane 1.34
    1-chlorotetradecane 0.52
    n-nonane 0.2
    undecane 0.17
    tert-butylcyclohexane 0.14
    cyclooctane 0.22
    cyclopentanol 16.48
    tetrahydropyran 20.53
    tert-amyl methyl ether 3.23
    2,5,8-trioxanonane 18.28
    1-hexene 1.16
    2-isopropoxyethanol 14.76
    2,2,2-trifluoroethanol 36.34
    methyl butyrate 10.87

    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