Songorine

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  • Identifiers

    CAS number
    509-24-0

    Molecular formula
    C22H31NO3

    SMILES
    CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]56[C@H]4CC(=O)[C@H](C5)C(=C)[C@H]6O)O)C

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 47.97%
    Woody 37.29%
    Spicy 26.43%
    Cooling 26.37%
    Earthy 21.64%
    Mint 21.03%
    Nutty 19.66%
    Sweet 18.95%
    Camphoreous 18.87%
    Burnt 17.64%

     

    Flavor
    Bitter 88.27%
    Cedarleaf 22.33%
    Sweet-like 21.46%
    Alkaline 19.21%
    Lovage 19.02%
    Nitrile 18.82%
    Patchouli 18.73%
    Cereal 18.68%
    Basil 18.6%
    Bland 18.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.31 (weak base)

    Molecular weight
    357.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    171°C

    Flash point

    • 180.55 ˚C est.

  • Synonyms

    • Songorine
    • Songorin
    • 509-24-0
    • Zongorine
    • Xuan-Wu 2
    • 64E5D8C741
    • (1R,2R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one
    • (3R,6S,6AR,6BR,9R,11R,11AR,12R,12AR,14R)-1-ETHYLDODECAHYDRO-6,11-DIHYDROXY-3-METHYL-10-METHYLENE-12,3,6A-ETHANYLYLIDENE-9,11A-METHANOAZULENO(2,1-B)AZOCIN-8(9H)-ONE
    • DTXSID001318628
    • (1R,2R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo(7.7.2.15,8.01,10.02,8.013,17)nonadecan-4-one
    • RefChem:184327
    • DTXCID101748432
    • (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furyl)methanimine
    • Bullatine G
    • Bullatine
    • UNII-64E5D8C741
    • NAPELLONIN
    • BRN 0045107
    • Songorine (Napellonine)
    • SONGORINE [MI]
    • 4-21-00-06538 (Beilstein Handbook Reference)
    • CHEMBL2165580
    • SCHEMBL30826025
    • CHEBI:228854
    • HMS3886P14
    • MSK15197
    • s9065
    • CCG-268125
    • 7,20-Cycloveatchan-12-one, 21-ethyl-1,15-dihydroxy-4-methyl-16-methylene, (1alpha,15beta)-
    • FS145273
    • NS00094341
    • (1.ALPHA.,15.BETA.)-21-ETHYL-1,15-DIHYDROXY-4-METHYL-16-METHYLENE-7,20-CYCLOVEATCHAN-12-ONE
    • 12,3,6A-ETHANYLYLIDENE-9,11A-METHANOAZULENO(2,1-B)AZOCIN-8(9H)-ONE, 1-ETHYLDODECAHYDRO-6,11-DIHYDROXY-3-METHYL-10-METHYLENE-, (3R,6S,6AR,6BR,9R,11R,11AR,12R,12AR,14R)-
    • 12,3,6A-ETHANYLYLIDENE-9,11A-METHANOAZULENO(2,1-B)AZOCIN-8(9H)-ONE, 1-ETHYLDODECAHYDRO-6,11-DIHYDROXY-3-METHYL-10-METHYLENE-, (3R-(3.ALPHA.,6.BETA.,6A.ALPHA.,6B.ALPHA.,9.BETA.,11.ALPHA.,11A.BETA.,12.ALPHA.,12A.BETA.,14R*))-
    • 509-24-0

  • Applications

    Songorine (CAS 509-24-0) is primarily utilized as a natural product intermediate and analytical reference in academic and pharmaceutical research. It serves as a building block for the synthesis of related diterpenoid alkaloids and semi-synthetic derivatives, enabling structure-activity investigations and library construction. In analytical settings, it is used as a standard for method development and calibration when characterizing plant-derived alkaloid extracts. The compound is also evaluated in pharmacology/toxicology studies of Aconitum-type alkaloids under strictly controlled conditions, contributing to mechanistic understanding of their bioactivity. Additionally, it is handled as a regulated laboratory chemical in research environments, and may be used for chemotaxonomic and isolation studies of alkaloids in plant materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.22
    methanol 70.34
    isopropanol 17.14
    water 1.87
    ethyl acetate 16.26
    n-propanol 14.29
    acetone 26.39
    n-butanol 19.39
    acetonitrile 12.76
    DMF 131.41
    toluene 6.68
    isobutanol 10.8
    1,4-dioxane 30.52
    methyl acetate 13.3
    THF 57.59
    2-butanone 17.56
    n-pentanol 5.8
    sec-butanol 4.49
    n-hexane 0.06
    ethylene glycol 24.0
    NMP 56.03
    cyclohexane 0.18
    DMSO 67.11
    n-butyl acetate 13.6
    n-octanol 3.81
    chloroform 47.58
    n-propyl acetate 9.65
    acetic acid 58.23
    dichloromethane 25.68
    cyclohexanone 41.67
    propylene glycol 13.74
    isopropyl acetate 15.79
    DMAc 60.58
    2-ethoxyethanol 29.73
    isopentanol 16.8
    n-heptane 0.11
    ethyl formate 19.49
    1,2-dichloroethane 12.51
    n-hexanol 8.74
    2-methoxyethanol 97.12
    isobutyl acetate 8.76
    tetrachloromethane 6.63
    n-pentyl acetate 16.59
    transcutol 51.18
    n-heptanol 8.48
    ethylbenzene 2.26
    MIBK 17.33
    2-propoxyethanol 62.31
    tert-butanol 12.39
    MTBE 2.1
    2-butoxyethanol 41.25
    propionic acid 19.79
    o-xylene 3.7
    formic acid 79.81
    diethyl ether 3.48
    m-xylene 6.04
    p-xylene 3.08
    chlorobenzene 12.59
    dimethyl carbonate 30.59
    n-octane 0.07
    formamide 82.84
    cyclopentanone 68.35
    2-pentanone 22.23
    anisole 7.6
    cyclopentyl methyl ether 13.09
    gamma-butyrolactone 77.28
    1-methoxy-2-propanol 83.79
    pyridine 31.38
    3-pentanone 11.04
    furfural 100.64
    n-dodecane 0.07
    diethylene glycol 79.94
    diisopropyl ether 1.31
    tert-amyl alcohol 4.2
    acetylacetone 42.32
    n-hexadecane 0.08
    acetophenone 16.15
    methyl propionate 19.89
    isopentyl acetate 15.67
    trichloroethylene 52.74
    n-nonanol 4.45
    cyclohexanol 9.58
    benzyl alcohol 18.57
    2-ethylhexanol 4.26
    isooctanol 7.0
    dipropyl ether 2.69
    1,2-dichlorobenzene 14.0
    ethyl lactate 19.25
    propylene carbonate 44.74
    n-methylformamide 77.78
    2-pentanol 6.4
    n-pentane 0.12
    1-propoxy-2-propanol 36.08
    1-methoxy-2-propyl acetate 38.44
    2-(2-methoxypropoxy) propanol 25.19
    mesitylene 3.2
    ε-caprolactone 34.91
    p-cymene 2.64
    epichlorohydrin 64.78
    1,1,1-trichloroethane 12.58
    2-aminoethanol 26.59
    morpholine-4-carbaldehyde 95.62
    sulfolane 93.53
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 11.51
    n-hexyl acetate 13.97
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 32.28
    sec-butyl acetate 6.72
    tert-butyl acetate 15.41
    decalin 0.17
    glycerin 60.12
    diglyme 64.89
    acrylic acid 31.7
    isopropyl myristate 4.28
    n-butyric acid 41.62
    acetyl acetate 24.73
    di(2-ethylhexyl) phthalate 12.31
    ethyl propionate 9.6
    nitromethane 96.75
    1,2-diethoxyethane 8.6
    benzonitrile 21.97
    trioctyl phosphate 8.57
    1-bromopropane 3.27
    gamma-valerolactone 129.06
    n-decanol 2.57
    triethyl phosphate 8.56
    4-methyl-2-pentanol 6.11
    propionitrile 12.95
    vinylene carbonate 60.02
    1,1,2-trichlorotrifluoroethane 102.74
    DMS 20.16
    cumene 1.83
    2-octanol 3.45
    2-hexanone 7.83
    octyl acetate 6.59
    limonene 2.31
    1,2-dimethoxyethane 33.86
    ethyl orthosilicate 6.99
    tributyl phosphate 7.63
    diacetone alcohol 31.43
    N,N-dimethylaniline 5.64
    acrylonitrile 30.06
    aniline 17.42
    1,3-propanediol 57.16
    bromobenzene 9.93
    dibromomethane 10.73
    1,1,2,2-tetrachloroethane 34.09
    2-methyl-cyclohexyl acetate 11.45
    tetrabutyl urea 9.69
    diisobutyl methanol 3.1
    2-phenylethanol 24.45
    styrene 2.5
    dioctyl adipate 9.34
    dimethyl sulfate 53.98
    ethyl butyrate 9.74
    methyl lactate 43.8
    butyl lactate 25.44
    diethyl carbonate 8.87
    propanediol butyl ether 29.2
    triethyl orthoformate 9.39
    p-tert-butyltoluene 2.63
    methyl 4-tert-butylbenzoate 25.29
    morpholine 34.25
    tert-butylamine 2.77
    n-dodecanol 1.49
    dimethoxymethane 73.62
    ethylene carbonate 44.43
    cyrene 38.81
    2-ethoxyethyl acetate 31.23
    2-ethylhexyl acetate 10.22
    1,2,4-trichlorobenzene 19.57
    4-methylpyridine 26.47
    dibutyl ether 1.71
    2,6-dimethyl-4-heptanol 3.1
    DEF 21.34
    dimethyl isosorbide 45.33
    tetrachloroethylene 28.35
    eugenol 32.52
    triacetin 24.36
    span 80 22.78
    1,4-butanediol 14.02
    1,1-dichloroethane 11.13
    2-methyl-1-pentanol 4.89
    methyl formate 63.28
    2-methyl-1-butanol 9.01
    n-decane 0.13
    butyronitrile 13.4
    3,7-dimethyl-1-octanol 3.98
    1-chlorooctane 0.96
    1-chlorotetradecane 0.34
    n-nonane 0.1
    undecane 0.09
    tert-butylcyclohexane 0.15
    cyclooctane 0.09
    cyclopentanol 13.93
    tetrahydropyran 11.83
    tert-amyl methyl ether 1.73
    2,5,8-trioxanonane 36.98
    1-hexene 0.36
    2-isopropoxyethanol 16.56
    2,2,2-trifluoroethanol 49.96
    methyl butyrate 12.94

    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