Coreximine

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  • Identifiers

    CAS number
    483-45-4

    Molecular formula
    C19H21NO4

    SMILES
    COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 49.33%
    Vanilla 46.86%
    Odorless 40.09%
    Spicy 39.25%
    Smoky 36.05%
    Sweet 33.7%
    Burnt 30.41%
    Balsamic 29.88%
    Powdery 26.07%
    Creamy 23.99%

     

    Flavor
    Bitter 93.26%
    Bland 22.92%
    Sweet-like 21.65%
    Cedarleaf 20.57%
    Parsley 20.05%
    Eugenol 19.38%
    Very strong 19.28%
    Indole 19.13%
    Cereal 19.07%
    Naphthalic 18.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.67 (weak base)

    Molecular weight
    327.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    674°C

    Flash point

    • 239.54 ˚C est.

  • Synonyms

    • Coreximine
    • 483-45-4
    • (-)-Coreximine
    • 9T6OLW325N
    • (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol
    • (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinoline-2,11-diol
    • RefChem:1082218
    • 3,10-dimethoxy-7,8,12b,13-tetrahydro-5H-6000000-azatetraphene-2,11-diol
    • 3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinoline-2,11-diol
    • (S)-(+)-Coreximine
    • (S)-Coreximine
    • UNII-9T6OLW325N
    • 6H-Dibenzo(a,g)quinolizine-2,11-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (S)-
    • (S)-(+)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,11-diol;
    • COREXIMIN
    • COREXIMINE, (-)-
    • S-(-)-COREXIMINEINE
    • CHEMBL1164087
    • SCHEMBL30473249
    • CHEBI:175178
    • FC20554
    • Q27273160
    • 13A.ALPHA.-BERBINE-2,11-DIOL, 3,10-DIMETHOXY-
    • (13AS)-5,8,13,13A-TETRAHYDRO-3,10-DIMETHOXY-6H-DIBENZO(A,G)QUINOLIZINE-2,11-DIOL
    • 6H-DIBENZO(A,G)QUINOLIZINE-2,11-DIOL, 5,8,13,13A-TETRAHYDRO-3,10-DIMETHOXY-, (13AS)-
    • 483-45-4

  • Applications

    Coreximine, CAS 483-45-4, is described as an intermediate in organic synthesis and may serve as a solvent or reagent in industrial manufacturing. In practice, it may be evaluated for use as an intermediate for subsequent reactions and applications in coatings and inks, in the polymer and plastics sector as a processing aid or solvent, and in cleaning formulations as a solvent or functional additive, with specific uses and limits governed by local regulations and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.04
    methanol 3.03
    isopropanol 1.65
    water 0.04
    ethyl acetate 4.29
    n-propanol 2.03
    acetone 2.62
    n-butanol 2.22
    acetonitrile 1.26
    DMF 7.74
    toluene 1.01
    isobutanol 1.34
    1,4-dioxane 6.82
    methyl acetate 2.41
    THF 10.99
    2-butanone 2.9
    n-pentanol 1.36
    sec-butanol 0.84
    n-hexane 0.05
    ethylene glycol 2.21
    NMP 3.65
    cyclohexane 0.12
    DMSO 25.0
    n-butyl acetate 4.36
    n-octanol 1.45
    chloroform 8.43
    n-propyl acetate 3.27
    acetic acid 11.97
    dichloromethane 7.03
    cyclohexanone 6.15
    propylene glycol 0.69
    isopropyl acetate 4.27
    DMAc 12.91
    2-ethoxyethanol 12.32
    isopentanol 2.5
    n-heptane 0.18
    ethyl formate 4.24
    1,2-dichloroethane 5.23
    n-hexanol 2.23
    2-methoxyethanol 19.53
    isobutyl acetate 2.54
    tetrachloromethane 1.72
    n-pentyl acetate 5.13
    transcutol 31.76
    n-heptanol 2.8
    ethylbenzene 0.63
    MIBK 3.7
    2-propoxyethanol 17.24
    tert-butanol 2.4
    MTBE 1.08
    2-butoxyethanol 12.39
    propionic acid 2.68
    o-xylene 1.06
    formic acid 10.43
    diethyl ether 2.04
    m-xylene 1.11
    p-xylene 0.85
    chlorobenzene 1.56
    dimethyl carbonate 5.52
    n-octane 0.13
    formamide 15.81
    cyclopentanone 6.12
    2-pentanone 3.35
    anisole 1.9
    cyclopentyl methyl ether 3.13
    gamma-butyrolactone 8.6
    1-methoxy-2-propanol 10.26
    pyridine 4.77
    3-pentanone 2.73
    furfural 13.73
    n-dodecane 0.11
    diethylene glycol 22.02
    diisopropyl ether 0.92
    tert-amyl alcohol 1.38
    acetylacetone 6.77
    n-hexadecane 0.13
    acetophenone 3.79
    methyl propionate 3.67
    isopentyl acetate 5.29
    trichloroethylene 11.4
    n-nonanol 2.01
    cyclohexanol 1.64
    benzyl alcohol 2.97
    2-ethylhexanol 1.81
    isooctanol 2.63
    dipropyl ether 2.73
    1,2-dichlorobenzene 2.61
    ethyl lactate 3.85
    propylene carbonate 5.29
    n-methylformamide 5.48
    2-pentanol 1.13
    n-pentane 0.07
    1-propoxy-2-propanol 8.85
    1-methoxy-2-propyl acetate 10.52
    2-(2-methoxypropoxy) propanol 9.83
    mesitylene 0.83
    ε-caprolactone 6.13
    p-cymene 1.4
    epichlorohydrin 12.93
    1,1,1-trichloroethane 3.3
    2-aminoethanol 2.43
    morpholine-4-carbaldehyde 14.1
    sulfolane 12.49
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 2.44
    n-hexyl acetate 3.99
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 13.81
    sec-butyl acetate 2.46
    tert-butyl acetate 5.12
    decalin 0.13
    glycerin 5.49
    diglyme 31.88
    acrylic acid 4.12
    isopropyl myristate 2.31
    n-butyric acid 6.44
    acetyl acetate 5.48
    di(2-ethylhexyl) phthalate 3.61
    ethyl propionate 3.36
    nitromethane 16.6
    1,2-diethoxyethane 8.51
    benzonitrile 3.04
    trioctyl phosphate 2.66
    1-bromopropane 1.42
    gamma-valerolactone 17.1
    n-decanol 1.5
    triethyl phosphate 4.72
    4-methyl-2-pentanol 1.41
    propionitrile 1.92
    vinylene carbonate 7.44
    1,1,2-trichlorotrifluoroethane 21.47
    DMS 5.73
    cumene 0.65
    2-octanol 1.41
    2-hexanone 2.42
    octyl acetate 2.85
    limonene 1.46
    1,2-dimethoxyethane 15.24
    ethyl orthosilicate 4.42
    tributyl phosphate 3.03
    diacetone alcohol 7.82
    N,N-dimethylaniline 2.01
    acrylonitrile 3.27
    aniline 2.15
    1,3-propanediol 7.36
    bromobenzene 1.39
    dibromomethane 3.67
    1,1,2,2-tetrachloroethane 8.91
    2-methyl-cyclohexyl acetate 4.82
    tetrabutyl urea 4.34
    diisobutyl methanol 1.73
    2-phenylethanol 4.6
    styrene 0.63
    dioctyl adipate 4.28
    dimethyl sulfate 10.18
    ethyl butyrate 4.38
    methyl lactate 5.1
    butyl lactate 5.78
    diethyl carbonate 4.27
    propanediol butyl ether 5.68
    triethyl orthoformate 5.14
    p-tert-butyltoluene 1.36
    methyl 4-tert-butylbenzoate 8.57
    morpholine 7.16
    tert-butylamine 0.88
    n-dodecanol 1.12
    dimethoxymethane 14.87
    ethylene carbonate 6.87
    cyrene 9.07
    2-ethoxyethyl acetate 11.81
    2-ethylhexyl acetate 3.92
    1,2,4-trichlorobenzene 3.39
    4-methylpyridine 2.97
    dibutyl ether 1.95
    2,6-dimethyl-4-heptanol 1.73
    DEF 5.23
    dimethyl isosorbide 18.85
    tetrachloroethylene 8.96
    eugenol 9.44
    triacetin 7.97
    span 80 6.4
    1,4-butanediol 1.92
    1,1-dichloroethane 2.14
    2-methyl-1-pentanol 1.63
    methyl formate 5.2
    2-methyl-1-butanol 1.51
    n-decane 0.2
    butyronitrile 1.86
    3,7-dimethyl-1-octanol 1.78
    1-chlorooctane 0.82
    1-chlorotetradecane 0.41
    n-nonane 0.15
    undecane 0.14
    tert-butylcyclohexane 0.11
    cyclooctane 0.08
    cyclopentanol 1.33
    tetrahydropyran 2.95
    tert-amyl methyl ether 1.14
    2,5,8-trioxanonane 21.82
    1-hexene 0.2
    2-isopropoxyethanol 6.97
    2,2,2-trifluoroethanol 8.31
    methyl butyrate 3.92

    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