Conessine

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  • Identifiers

    CAS number
    546-06-5

    Molecular formula
    C24H40N2

    SMILES
    C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 50.35%
    Animal 34.67%
    Sweet 32.37%
    Earthy 29.67%
    Spicy 29.31%
    Sandalwood 28.9%
    Amber 28.04%
    Fresh 26.77%
    Floral 26.55%
    Herbal 25.86%

     

    Flavor
    Woody 32.87%
    Fruity 31.44%
    Herb 30.03%
    Wood 29.51%
    Herbal 28.05%
    Fruit 27.72%
    Sweet 25.4%
    Fir needle 25.34%
    Sandalwood 23.12%
    Earthy 23.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.08 (weak base)

    Molecular weight
    356.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    461°C

    Flash point

    • 181.92 ˚C est.

  • Synonyms

    • conessine
    • 546-06-5
    • Neriine
    • Roquessine
    • Conessinum
    • Wrightine
    • Conesina
    • Conessin
    • EZ38J9BBDF
    • N,N-dimethylcon-5-enin-3beta-amine
    • Konessin
    • DTXSID6046000
    • NSC-119994
    • (3-beta)-N,N-Dimethylcon-5-enin-3-amine
    • DTXCID4026000
    • CHEBI:27965
    • (1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
    • (1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo(10.8.0.02,9.05,9.013,18)icos-18-en-16-amine
    • (+)-Conessine
    • RefChem:578638
    • 3 beta-(dimethylamino)con-5-enine
    • conessine dihydrobromide, (3beta)-
    • (3-beta)-N,N-dimethyl-on-5-enin-3-amine dihydrobromide
    • 208-897-2
    • N,N,6,7,13-pentamethyl-7-azapentacyclo(10.8.0.02,9.05,9.013,18)icos-18-en-16-amine
    • Conessine [INN]
    • MFCD00016752
    • ST066907
    • NSC 119994
    • Con-5-enine, 3.beta.-(dimethylamino)-
    • ((2S,5S,12S,16S,1R,9R,13R)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.0<2,9>.0<5, 9>.0<13,18>]icos-18-en-16-yl)dimethylamine
    • (1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-18-en-16-amine
    • Conesina [INN-Spanish]
    • Conessinum [INN-Latin]
    • UNII-EZ38J9BBDF
    • Conkurchine, N,18-dihydrotrimethyl-
    • 3beta-(Dimethylamino)con-5-ene
    • NCGC00095844-01
    • C24H40N2
    • CAS-546-06-5
    • Prestwick_692
    • EINECS 208-897-2
    • BRN 4702160
    • CONESSINE [MI]
    • Prestwick0_000638
    • Prestwick1_000638
    • Prestwick2_000638
    • Prestwick3_000638
    • ConessineWrightine; Conessine
    • BSPBio_000636
    • BIDD:ER0525
    • SCHEMBL791146
    • SPBio_002855
    • BPBio1_000700
    • CHEMBL191703
    • GTPL8981
    • orb1306560
    • Conessine, >=97% (HPLC)
    • BDBM27193
    • 3beta-(Dimethylamino)con-5-enine
    • GLXC-26648
    • HMS1569P18
    • HMS2096P18
    • Tox21_111531
    • MSK164242
    • SBB012585
    • AKOS024283367
    • Con-5-enine, 3beta-(dimethylamino)-
    • Tox21_111531_1
    • EBC-615806
    • FC57645
    • (3?)-N,N-Dimethylcon-5-enin-3-amine
    • NCGC00092388-01
    • NCGC00092388-03
    • NCGC00092388-05
    • NCGC00092388-15
    • MS-25590
    • HY-107566
    • NS00033145
    • C06545
    • F82154
    • Con-5-enin-3-amine, N,N-dimethyl-, (3beta)-
    • A1-00780
    • Q5159518
    • 546-06-5

  • Applications

    Conessine, CAS 546-06-5, is a steroidal alkaloid that has been explored primarily in pharmaceutical and natural product research. In practice, it is used as a lead scaffold for the synthesis of analogs and as a starting material in SAR studies aimed at exploring antimicrobial or antiparasitic activities. It also serves as a reference compound for isolation and structural confirmation of alkaloids in plant extracts, and as a calibration material for analytical methods such as HPLC or TLC when profiling Holarrhena-type alkaloids. Additionally, researchers may evaluate conessine for pesticidal or nematicidal activity in agricultural research, and as a precursor to derivative compounds in synthetic chemistry workflows. The use of conessine is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.17
    methanol 19.35
    isopropanol 19.65
    water 2.5
    ethyl acetate 78.97
    n-propanol 34.89
    acetone 56.67
    n-butanol 48.62
    acetonitrile 36.68
    DMF 52.14
    toluene 140.2
    isobutanol 32.74
    1,4-dioxane 126.46
    methyl acetate 49.32
    THF 118.38
    2-butanone 59.88
    n-pentanol 32.14
    sec-butanol 12.5
    n-hexane 2.49
    ethylene glycol 7.15
    NMP 74.21
    cyclohexane 12.62
    DMSO 31.27
    n-butyl acetate 83.67
    n-octanol 21.57
    chloroform 340.85
    n-propyl acetate 57.04
    acetic acid 50.85
    dichloromethane 213.18
    cyclohexanone 134.56
    propylene glycol 6.81
    isopropyl acetate 76.93
    DMAc 74.65
    2-ethoxyethanol 60.36
    isopentanol 51.81
    n-heptane 4.51
    ethyl formate 49.87
    1,2-dichloroethane 106.57
    n-hexanol 49.24
    2-methoxyethanol 70.73
    isobutyl acetate 59.92
    tetrachloromethane 66.85
    n-pentyl acetate 72.29
    transcutol 198.99
    n-heptanol 41.5
    ethylbenzene 37.59
    MIBK 68.54
    2-propoxyethanol 113.01
    tert-butanol 17.34
    MTBE 22.87
    2-butoxyethanol 98.56
    propionic acid 34.11
    o-xylene 68.97
    formic acid 23.0
    diethyl ether 44.49
    m-xylene 91.65
    p-xylene 50.27
    chlorobenzene 138.97
    dimethyl carbonate 47.83
    n-octane 1.55
    formamide 29.88
    cyclopentanone 108.85
    2-pentanone 71.6
    anisole 70.04
    cyclopentyl methyl ether 78.93
    gamma-butyrolactone 119.42
    1-methoxy-2-propanol 57.15
    pyridine 150.63
    3-pentanone 66.05
    furfural 154.93
    n-dodecane 1.46
    diethylene glycol 71.65
    diisopropyl ether 23.46
    tert-amyl alcohol 11.53
    acetylacetone 95.06
    n-hexadecane 1.83
    acetophenone 81.74
    methyl propionate 62.85
    isopentyl acetate 92.98
    trichloroethylene 245.7
    n-nonanol 26.38
    cyclohexanol 46.49
    benzyl alcohol 68.24
    2-ethylhexanol 41.01
    isooctanol 38.8
    dipropyl ether 43.48
    1,2-dichlorobenzene 132.42
    ethyl lactate 40.07
    propylene carbonate 88.8
    n-methylformamide 34.45
    2-pentanol 23.58
    n-pentane 4.91
    1-propoxy-2-propanol 79.06
    1-methoxy-2-propyl acetate 131.85
    2-(2-methoxypropoxy) propanol 69.44
    mesitylene 48.57
    ε-caprolactone 126.48
    p-cymene 38.02
    epichlorohydrin 137.55
    1,1,1-trichloroethane 121.14
    2-aminoethanol 17.61
    morpholine-4-carbaldehyde 127.81
    sulfolane 89.51
    2,2,4-trimethylpentane 3.2
    2-methyltetrahydrofuran 69.57
    n-hexyl acetate 63.56
    isooctane 3.19
    2-(2-butoxyethoxy)ethanol 93.92
    sec-butyl acetate 51.58
    tert-butyl acetate 68.48
    decalin 6.65
    glycerin 18.0
    diglyme 189.48
    acrylic acid 36.95
    isopropyl myristate 30.74
    n-butyric acid 81.64
    acetyl acetate 93.1
    di(2-ethylhexyl) phthalate 43.95
    ethyl propionate 56.47
    nitromethane 75.06
    1,2-diethoxyethane 75.67
    benzonitrile 96.17
    trioctyl phosphate 29.53
    1-bromopropane 57.73
    gamma-valerolactone 203.91
    n-decanol 18.43
    triethyl phosphate 46.97
    4-methyl-2-pentanol 27.56
    propionitrile 51.66
    vinylene carbonate 118.41
    1,1,2-trichlorotrifluoroethane 118.79
    DMS 62.43
    cumene 29.48
    2-octanol 18.03
    2-hexanone 46.18
    octyl acetate 37.8
    limonene 37.06
    1,2-dimethoxyethane 84.21
    ethyl orthosilicate 50.41
    tributyl phosphate 31.82
    diacetone alcohol 56.59
    N,N-dimethylaniline 46.23
    acrylonitrile 59.32
    aniline 107.4
    1,3-propanediol 39.88
    bromobenzene 156.2
    dibromomethane 136.95
    1,1,2,2-tetrachloroethane 171.22
    2-methyl-cyclohexyl acetate 71.18
    tetrabutyl urea 36.49
    diisobutyl methanol 24.98
    2-phenylethanol 89.13
    styrene 45.41
    dioctyl adipate 48.62
    dimethyl sulfate 54.94
    ethyl butyrate 75.1
    methyl lactate 38.12
    butyl lactate 57.89
    diethyl carbonate 60.0
    propanediol butyl ether 47.57
    triethyl orthoformate 73.06
    p-tert-butyltoluene 33.99
    methyl 4-tert-butylbenzoate 81.56
    morpholine 108.21
    tert-butylamine 13.39
    n-dodecanol 13.05
    dimethoxymethane 87.82
    ethylene carbonate 109.45
    cyrene 76.11
    2-ethoxyethyl acetate 111.94
    2-ethylhexyl acetate 81.44
    1,2,4-trichlorobenzene 149.48
    4-methylpyridine 143.66
    dibutyl ether 22.01
    2,6-dimethyl-4-heptanol 24.98
    DEF 69.12
    dimethyl isosorbide 118.88
    tetrachloroethylene 138.62
    eugenol 81.43
    triacetin 80.9
    span 80 56.69
    1,4-butanediol 18.98
    1,1-dichloroethane 93.75
    2-methyl-1-pentanol 34.67
    methyl formate 31.97
    2-methyl-1-butanol 38.47
    n-decane 2.85
    butyronitrile 57.62
    3,7-dimethyl-1-octanol 27.58
    1-chlorooctane 14.56
    1-chlorotetradecane 5.73
    n-nonane 2.15
    undecane 1.97
    tert-butylcyclohexane 4.48
    cyclooctane 5.66
    cyclopentanol 31.32
    tetrahydropyran 96.38
    tert-amyl methyl ether 21.33
    2,5,8-trioxanonane 118.57
    1-hexene 9.55
    2-isopropoxyethanol 52.87
    2,2,2-trifluoroethanol 43.53
    methyl butyrate 60.18

    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