Erysodine

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  • Identifiers

    CAS number
    7290-03-1

    Molecular formula
    C18H21NO3

    SMILES
    CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)O)C=C1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.68%
    Spicy 30.76%
    Vanilla 28.4%
    Sweet 22.77%
    Phenolic 20.46%
    Animal 20.08%
    Savory 18.96%
    Smoky 18.94%
    Roasted 18.52%
    Burnt 18.29%

     

    Flavor
    Bitter 89.98%
    Sweet-like 20.22%
    Cedarleaf 20.19%
    Alkaline 19.19%
    Cereal 19.17%
    Lovage 18.97%
    Parsley 18.94%
    Bland 18.74%
    Shrimp 18.63%
    Very strong 18.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.51 (neutral)

    Molecular weight
    299.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    475°C

    Melting point expt.

    • 204 - 205 °C

    Flash point

    • 202.08 ˚C est.

  • Synonyms

    • Erysodine
    • 7290-03-1
    • 6WZ3T41Y11
    • 1,2,6,7-Tetradehydro-3,15-dimethoxyerythrinan-16-ol
    • (2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-ol
    • (12R,13aS)-2,12-dimethoxy-5H,6H,8H,12H,13H-indolo(7a,1-a)isoquinolin-3-ol
    • (12R,13aS)-2,12-dimethoxy-5H,6H,8H,12H,13H-indolo[7a,1-a]isoquinolin-3-ol
    • (2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo(7a,1-a)isoquinolin-11-ol
    • RefChem:137714
    • Erysodin
    • (+)-erysodine
    • DTXSID20993682
    • 3,15-Dimethoxy-1,2,6,7-tetradehydroerythrinan-16-ol
    • UNII-6WZ3T41Y11
    • CHEMBL446533
    • Erythrinan-16-ol, 1,2,6,7-tetradehydro-3,15-dimethoxy-, (3.beta.)-
    • 1,2,6,7-tetradehydro-3beta,15-dimethoxyerythrinan-16-ol
    • CHEBI:192381
    • BDBM50006647
    • NS00094135
    • AI-899/21173001
    • Q27265641
    • 3alpha,15-Dimethoxy-1,2,6,7-tetradehydroerythrinan-16-ol
    • 3beta,15-dimethoxy-1,2,6,7-tetradehydroerythrinan-16-ol
    • (3beta)-1,2,6,7-tetradehydro-3,15-dimethoxyerythrinan-16-ol
    • 1,2,6,7-Tetradehydro-3,15-dimethoxy-(3beta)-Erythrinan-16-ol
    • Erythrinan-16-ol, 1,2,6,7-tetradehydro-3,15-dimethoxy-, (3beta)-
    • 7290-03-1

  • Applications

    Erysodine (CAS 7290-03-1) has potential applications in industrial contexts as an intermediate in chemical synthesis, as a solvent or co-solvent/processing aid in manufacturing, as a stabilizer or plasticizer component in polymer formulations, and may be used as an odorant or fragrance fixative in fragrance formulations; it can also act as a processing additive in coatings and inks, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.06
    methanol 13.72
    isopropanol 5.6
    water 0.23
    ethyl acetate 22.08
    n-propanol 7.89
    acetone 17.11
    n-butanol 9.28
    acetonitrile 8.97
    DMF 50.72
    toluene 13.72
    isobutanol 6.54
    1,4-dioxane 47.63
    methyl acetate 18.73
    THF 34.17
    2-butanone 18.08
    n-pentanol 6.43
    sec-butanol 2.79
    n-hexane 0.17
    ethylene glycol 10.9
    NMP 38.25
    cyclohexane 1.44
    DMSO 43.18
    n-butyl acetate 19.39
    n-octanol 4.53
    chloroform 97.25
    n-propyl acetate 17.44
    acetic acid 49.7
    dichloromethane 77.2
    cyclohexanone 50.31
    propylene glycol 3.67
    isopropyl acetate 18.03
    DMAc 68.8
    2-ethoxyethanol 30.72
    isopentanol 11.64
    n-heptane 0.43
    ethyl formate 22.71
    1,2-dichloroethane 44.19
    n-hexanol 9.56
    2-methoxyethanol 51.56
    isobutyl acetate 17.45
    tetrachloromethane 11.68
    n-pentyl acetate 16.76
    transcutol 87.5
    n-heptanol 8.52
    ethylbenzene 5.29
    MIBK 16.82
    2-propoxyethanol 46.07
    tert-butanol 7.74
    MTBE 4.14
    2-butoxyethanol 32.95
    propionic acid 15.02
    o-xylene 9.5
    formic acid 37.08
    diethyl ether 7.51
    m-xylene 9.66
    p-xylene 8.17
    chlorobenzene 22.52
    dimethyl carbonate 29.53
    n-octane 0.27
    formamide 48.1
    cyclopentanone 38.18
    2-pentanone 18.37
    anisole 14.58
    cyclopentyl methyl ether 15.01
    gamma-butyrolactone 50.68
    1-methoxy-2-propanol 28.19
    pyridine 45.84
    3-pentanone 18.1
    furfural 77.85
    n-dodecane 0.4
    diethylene glycol 61.05
    diisopropyl ether 3.18
    tert-amyl alcohol 3.64
    acetylacetone 34.75
    n-hexadecane 0.49
    acetophenone 24.93
    methyl propionate 20.57
    isopentyl acetate 22.08
    trichloroethylene 107.8
    n-nonanol 6.03
    cyclohexanol 11.89
    benzyl alcohol 21.56
    2-ethylhexanol 7.6
    isooctanol 8.04
    dipropyl ether 6.74
    1,2-dichlorobenzene 27.55
    ethyl lactate 16.15
    propylene carbonate 34.7
    n-methylformamide 28.7
    2-pentanol 3.93
    n-pentane 0.3
    1-propoxy-2-propanol 23.49
    1-methoxy-2-propyl acetate 36.2
    2-(2-methoxypropoxy) propanol 30.12
    mesitylene 5.98
    ε-caprolactone 38.81
    p-cymene 6.88
    epichlorohydrin 61.39
    1,1,1-trichloroethane 31.27
    2-aminoethanol 11.34
    morpholine-4-carbaldehyde 76.47
    sulfolane 54.73
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 13.13
    n-hexyl acetate 15.51
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 39.41
    sec-butyl acetate 13.27
    tert-butyl acetate 17.69
    decalin 0.86
    glycerin 19.99
    diglyme 78.85
    acrylic acid 23.92
    isopropyl myristate 8.86
    n-butyric acid 30.24
    acetyl acetate 36.13
    di(2-ethylhexyl) phthalate 15.06
    ethyl propionate 15.96
    nitromethane 70.34
    1,2-diethoxyethane 22.57
    benzonitrile 28.67
    trioctyl phosphate 9.84
    1-bromopropane 10.15
    gamma-valerolactone 85.78
    n-decanol 4.77
    triethyl phosphate 15.42
    4-methyl-2-pentanol 5.58
    propionitrile 13.34
    vinylene carbonate 50.72
    1,1,2-trichlorotrifluoroethane 82.92
    DMS 25.56
    cumene 4.64
    2-octanol 3.85
    2-hexanone 13.41
    octyl acetate 10.66
    limonene 7.14
    1,2-dimethoxyethane 43.29
    ethyl orthosilicate 14.33
    tributyl phosphate 11.14
    diacetone alcohol 21.96
    N,N-dimethylaniline 11.47
    acrylonitrile 23.88
    aniline 22.93
    1,3-propanediol 23.31
    bromobenzene 21.78
    dibromomethane 35.46
    1,1,2,2-tetrachloroethane 71.26
    2-methyl-cyclohexyl acetate 21.3
    tetrabutyl urea 15.34
    diisobutyl methanol 5.46
    2-phenylethanol 27.1
    styrene 6.56
    dioctyl adipate 16.13
    dimethyl sulfate 41.46
    ethyl butyrate 17.37
    methyl lactate 21.57
    butyl lactate 17.15
    diethyl carbonate 17.44
    propanediol butyl ether 17.4
    triethyl orthoformate 17.48
    p-tert-butyltoluene 5.9
    methyl 4-tert-butylbenzoate 26.03
    morpholine 41.34
    tert-butylamine 3.42
    n-dodecanol 3.82
    dimethoxymethane 51.93
    ethylene carbonate 43.38
    cyrene 33.77
    2-ethoxyethyl acetate 32.65
    2-ethylhexyl acetate 17.27
    1,2,4-trichlorobenzene 36.16
    4-methylpyridine 34.08
    dibutyl ether 5.5
    2,6-dimethyl-4-heptanol 5.46
    DEF 28.59
    dimethyl isosorbide 48.63
    tetrachloroethylene 60.53
    eugenol 31.24
    triacetin 27.06
    span 80 20.38
    1,4-butanediol 8.48
    1,1-dichloroethane 23.06
    2-methyl-1-pentanol 7.8
    methyl formate 27.35
    2-methyl-1-butanol 6.74
    n-decane 0.57
    butyronitrile 11.67
    3,7-dimethyl-1-octanol 6.57
    1-chlorooctane 2.85
    1-chlorotetradecane 1.67
    n-nonane 0.39
    undecane 0.46
    tert-butylcyclohexane 0.55
    cyclooctane 0.55
    cyclopentanol 8.32
    tetrahydropyran 21.15
    tert-amyl methyl ether 3.87
    2,5,8-trioxanonane 60.53
    1-hexene 0.88
    2-isopropoxyethanol 20.82
    2,2,2-trifluoroethanol 30.45
    methyl butyrate 19.9

    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