dl-Codamine

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  • Identifiers

    CAS number
    5977-85-5

    Molecular formula
    C20H25NO4

    SMILES
    CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 49.82%
    Spicy 44.42%
    Phenolic 41.47%
    Sweet 39.93%
    Smoky 35.84%
    Odorless 31.37%
    Balsamic 29.94%
    Powdery 28.49%
    Burnt 27.36%
    Creamy 25.46%

     

    Flavor
    Bitter 87.03%
    Bland 26.07%
    Parsley 21.84%
    Sweet-like 21.57%
    Cedarleaf 21.42%
    Eugenol 20.95%
    Odorless 19.7%
    Lovage 19.56%
    Carrot 19.3%
    Ripe apricot 19.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.08 (weak base)

    Molecular weight
    343.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    583°C

    Melting point expt.

    • 126 - 127 °C

    Flash point

    • 175.16 ˚C est.

  • Synonyms

    • 5977-85-5
    • dl-Codamine
    • 1-(3,4-Dimethoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
    • (+/-)-Codamine
    • Codamine, DL-
    • Codamine, (RS)-
    • Codamine DL-form [MI]
    • Codamine, (+/-)-
    • NSC-127489
    • UNII-5D6TH19ZX4
    • (S)-Codamine
    • 5D6TH19ZX4
    • (.+-.)-Codamine
    • 1-((3,4-Dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-7-isoquinolinol
    • 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
    • 7-Isoquinolinol, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-
    • 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoq uinolin-7-ol
    • Kodamin
    • NSC127489
    • Codamine, (.+-.)-
    • SCHEMBL680513
    • MFCD08693261
    • AKOS000277676
    • 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
    • DS-017098
    • Q27261862
    • 7-Isoquinolinol,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methyl-
    • 7-Isoquinolinol,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, (.+-.)-
    • dl-Codamine

  • Applications

    dl-Codamine (CAS 5977-85-5) is commonly used as an intermediate and precursor for amine-containing compounds in fragrance and cosmetic chemistry; it may serve as a building block for amine derivatives in pharmaceutical synthesis and in polymer systems; in polymer and epoxy formulations it can act as a reactive component, binder, or curing agent; in coatings and inks it can function as a reactive additive influencing film properties and color development; it may also be evaluated for use in adhesives and plastics as a chemical building block. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.17
    methanol 8.83
    isopropanol 5.35
    water 0.03
    ethyl acetate 25.38
    n-propanol 9.78
    acetone 16.3
    n-butanol 8.37
    acetonitrile 12.13
    DMF 34.47
    toluene 4.69
    isobutanol 6.54
    1,4-dioxane 34.57
    methyl acetate 21.5
    THF 40.13
    2-butanone 19.85
    n-pentanol 7.77
    sec-butanol 6.51
    n-hexane 0.24
    ethylene glycol 4.91
    NMP 22.89
    cyclohexane 0.76
    DMSO 100.35
    n-butyl acetate 14.12
    n-octanol 4.44
    chloroform 99.11
    n-propyl acetate 16.17
    acetic acid 37.79
    dichloromethane 105.92
    cyclohexanone 30.86
    propylene glycol 3.56
    isopropyl acetate 14.28
    DMAc 57.22
    2-ethoxyethanol 43.47
    isopentanol 7.89
    n-heptane 0.65
    ethyl formate 19.31
    1,2-dichloroethane 57.14
    n-hexanol 7.6
    2-methoxyethanol 48.38
    isobutyl acetate 9.96
    tetrachloromethane 11.24
    n-pentyl acetate 12.72
    transcutol 68.81
    n-heptanol 6.51
    ethylbenzene 2.88
    MIBK 11.65
    2-propoxyethanol 36.94
    tert-butanol 8.19
    MTBE 6.69
    2-butoxyethanol 22.55
    propionic acid 15.3
    o-xylene 4.58
    formic acid 18.3
    diethyl ether 9.97
    m-xylene 3.93
    p-xylene 3.92
    chlorobenzene 12.41
    dimethyl carbonate 18.39
    n-octane 0.41
    formamide 35.63
    cyclopentanone 32.49
    2-pentanone 16.13
    anisole 10.18
    cyclopentyl methyl ether 13.3
    gamma-butyrolactone 46.33
    1-methoxy-2-propanol 25.74
    pyridine 22.65
    3-pentanone 15.01
    furfural 51.18
    n-dodecane 0.36
    diethylene glycol 37.74
    diisopropyl ether 3.34
    tert-amyl alcohol 7.74
    acetylacetone 27.62
    n-hexadecane 0.42
    acetophenone 16.38
    methyl propionate 21.59
    isopentyl acetate 14.98
    trichloroethylene 110.07
    n-nonanol 5.36
    cyclohexanol 8.3
    benzyl alcohol 11.92
    2-ethylhexanol 6.11
    isooctanol 6.41
    dipropyl ether 7.52
    1,2-dichlorobenzene 17.13
    ethyl lactate 12.67
    propylene carbonate 23.28
    n-methylformamide 22.78
    2-pentanol 4.99
    n-pentane 0.3
    1-propoxy-2-propanol 20.39
    1-methoxy-2-propyl acetate 25.64
    2-(2-methoxypropoxy) propanol 22.05
    mesitylene 2.72
    ε-caprolactone 30.21
    p-cymene 4.4
    epichlorohydrin 82.0
    1,1,1-trichloroethane 32.68
    2-aminoethanol 8.3
    morpholine-4-carbaldehyde 50.58
    sulfolane 65.96
    2,2,4-trimethylpentane 0.43
    2-methyltetrahydrofuran 16.58
    n-hexyl acetate 11.66
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 27.15
    sec-butyl acetate 9.93
    tert-butyl acetate 15.67
    decalin 0.62
    glycerin 12.89
    diglyme 66.72
    acrylic acid 18.0
    isopropyl myristate 5.7
    n-butyric acid 20.64
    acetyl acetate 21.9
    di(2-ethylhexyl) phthalate 8.65
    ethyl propionate 15.56
    nitromethane 81.85
    1,2-diethoxyethane 21.86
    benzonitrile 13.12
    trioctyl phosphate 5.89
    1-bromopropane 12.52
    gamma-valerolactone 62.92
    n-decanol 4.03
    triethyl phosphate 12.95
    4-methyl-2-pentanol 3.95
    propionitrile 11.27
    vinylene carbonate 28.97
    1,1,2-trichlorotrifluoroethane 71.98
    DMS 19.87
    cumene 2.81
    2-octanol 3.89
    2-hexanone 12.56
    octyl acetate 7.5
    limonene 5.0
    1,2-dimethoxyethane 52.05
    ethyl orthosilicate 11.74
    tributyl phosphate 7.7
    diacetone alcohol 19.85
    N,N-dimethylaniline 8.17
    acrylonitrile 17.52
    aniline 9.82
    1,3-propanediol 15.75
    bromobenzene 12.47
    dibromomethane 47.68
    1,1,2,2-tetrachloroethane 76.19
    2-methyl-cyclohexyl acetate 14.43
    tetrabutyl urea 10.21
    diisobutyl methanol 4.43
    2-phenylethanol 13.03
    styrene 3.25
    dioctyl adipate 11.47
    dimethyl sulfate 35.57
    ethyl butyrate 14.3
    methyl lactate 15.31
    butyl lactate 12.63
    diethyl carbonate 13.27
    propanediol butyl ether 13.0
    triethyl orthoformate 13.97
    p-tert-butyltoluene 4.02
    methyl 4-tert-butylbenzoate 19.51
    morpholine 37.98
    tert-butylamine 3.35
    n-dodecanol 3.02
    dimethoxymethane 40.94
    ethylene carbonate 24.8
    cyrene 27.94
    2-ethoxyethyl acetate 29.11
    2-ethylhexyl acetate 11.93
    1,2,4-trichlorobenzene 22.11
    4-methylpyridine 15.82
    dibutyl ether 5.67
    2,6-dimethyl-4-heptanol 4.43
    DEF 24.08
    dimethyl isosorbide 42.53
    tetrachloroethylene 52.81
    eugenol 20.15
    triacetin 22.77
    span 80 14.32
    1,4-butanediol 7.72
    1,1-dichloroethane 26.48
    2-methyl-1-pentanol 8.03
    methyl formate 23.65
    2-methyl-1-butanol 7.21
    n-decane 0.64
    butyronitrile 9.41
    3,7-dimethyl-1-octanol 5.21
    1-chlorooctane 3.03
    1-chlorotetradecane 1.37
    n-nonane 0.49
    undecane 0.46
    tert-butylcyclohexane 0.52
    cyclooctane 0.39
    cyclopentanol 8.31
    tetrahydropyran 17.15
    tert-amyl methyl ether 6.59
    2,5,8-trioxanonane 45.04
    1-hexene 1.17
    2-isopropoxyethanol 25.46
    2,2,2-trifluoroethanol 25.45
    methyl butyrate 18.91

    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