Laudanidine

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  • Identifiers

    CAS number
    301-21-3

    Molecular formula
    C20H25NO4

    SMILES
    CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 49.21%
    Spicy 44.68%
    Phenolic 41.62%
    Sweet 38.83%
    Smoky 35.8%
    Odorless 31.7%
    Balsamic 29.68%
    Powdery 28.24%
    Burnt 27.12%
    Animal 25.66%

     

    Flavor
    Bitter 87.0%
    Bland 26.41%
    Parsley 21.85%
    Sweet-like 21.53%
    Cedarleaf 21.45%
    Eugenol 20.85%
    Odorless 19.83%
    Lovage 19.57%
    Carrot 19.35%
    Ripe apricot 19.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.99 (neutral)

    Molecular weight
    343.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    549°C

    Flash point

    • 176.49 ˚C est.

  • Synonyms

    • Laudanidine
    • (-)-Laudanidine
    • Tritopine
    • L-Laudanine
    • Tritopin
    • 301-21-3
    • Laudanine, (-)-
    • Laudanidine, (-)-
    • B04I522B9Q
    • Phenol, 2-methoxy-5-(((1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-
    • DTXSID101031318
    • 5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol
    • 5-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-methoxyphenol
    • 5-(((1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2-methoxy-phenol
    • 5-(((1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2-methoxyphenol
    • 5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxy-phenol
    • 5-(((1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)-2-methoxyphenol
    • 5-[((1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol
    • RefChem:1088368
    • DTXCID601516323
    • 5-(((1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2-methoxyphenol
    • UNII-B04I522B9Q
    • AKOS000277075
    • C09555
    • AC1L9CKK
    • (-)-laudanine
    • LAUDANIDINE [MI]
    • SureCN679495
    • SCHEMBL679495
    • orb1696602
    • CHEBI:76105
    • NS00094131
    • Q27145755
    • (R)-5-((6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)-2-methoxyphenol
    • 301-21-3

  • Applications

    Laudanidine (CAS 301-21-3) is viewed as an organic synthesis intermediate and chemical reagent in development and manufacturing. In practice, it may serve as a solvent or reaction medium in synthesis, as a polymer or plastic additive and/or stabilizer in formulations, and as a potential fragrance-related component in cosmetics or household products, with actual use governed by local regulations and supplier data.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.43
    methanol 8.45
    isopropanol 5.48
    water 0.03
    ethyl acetate 25.71
    n-propanol 9.6
    acetone 16.21
    n-butanol 8.68
    acetonitrile 10.95
    DMF 29.43
    toluene 5.67
    isobutanol 6.69
    1,4-dioxane 40.09
    methyl acetate 21.62
    THF 43.35
    2-butanone 19.41
    n-pentanol 8.09
    sec-butanol 6.42
    n-hexane 0.31
    ethylene glycol 4.17
    NMP 22.46
    cyclohexane 1.11
    DMSO 78.43
    n-butyl acetate 14.38
    n-octanol 4.3
    chloroform 107.09
    n-propyl acetate 16.22
    acetic acid 39.18
    dichloromethane 106.46
    cyclohexanone 33.03
    propylene glycol 3.13
    isopropyl acetate 15.05
    DMAc 57.58
    2-ethoxyethanol 42.9
    isopentanol 8.7
    n-heptane 0.74
    ethyl formate 18.08
    1,2-dichloroethane 57.26
    n-hexanol 7.7
    2-methoxyethanol 47.47
    isobutyl acetate 10.82
    tetrachloromethane 12.47
    n-pentyl acetate 12.57
    transcutol 77.36
    n-heptanol 6.66
    ethylbenzene 3.2
    MIBK 12.19
    2-propoxyethanol 38.1
    tert-butanol 9.08
    MTBE 7.99
    2-butoxyethanol 23.0
    propionic acid 15.56
    o-xylene 5.49
    formic acid 17.64
    diethyl ether 12.06
    m-xylene 4.61
    p-xylene 4.48
    chlorobenzene 13.57
    dimethyl carbonate 17.64
    n-octane 0.44
    formamide 34.87
    cyclopentanone 32.44
    2-pentanone 16.18
    anisole 10.86
    cyclopentyl methyl ether 15.42
    gamma-butyrolactone 45.95
    1-methoxy-2-propanol 26.07
    pyridine 24.18
    3-pentanone 16.5
    furfural 51.7
    n-dodecane 0.38
    diethylene glycol 36.07
    diisopropyl ether 4.12
    tert-amyl alcohol 8.62
    acetylacetone 27.76
    n-hexadecane 0.44
    acetophenone 17.06
    methyl propionate 21.54
    isopentyl acetate 15.92
    trichloroethylene 112.76
    n-nonanol 5.32
    cyclohexanol 9.73
    benzyl alcohol 12.27
    2-ethylhexanol 6.39
    isooctanol 6.72
    dipropyl ether 8.51
    1,2-dichlorobenzene 18.59
    ethyl lactate 12.54
    propylene carbonate 23.38
    n-methylformamide 19.49
    2-pentanol 5.37
    n-pentane 0.4
    1-propoxy-2-propanol 20.89
    1-methoxy-2-propyl acetate 26.69
    2-(2-methoxypropoxy) propanol 23.09
    mesitylene 3.24
    ε-caprolactone 32.05
    p-cymene 4.8
    epichlorohydrin 78.54
    1,1,1-trichloroethane 34.82
    2-aminoethanol 7.51
    morpholine-4-carbaldehyde 52.75
    sulfolane 61.99
    2,2,4-trimethylpentane 0.55
    2-methyltetrahydrofuran 18.11
    n-hexyl acetate 11.67
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 28.73
    sec-butyl acetate 10.8
    tert-butyl acetate 17.52
    decalin 0.79
    glycerin 11.68
    diglyme 72.84
    acrylic acid 18.63
    isopropyl myristate 5.88
    n-butyric acid 21.3
    acetyl acetate 24.09
    di(2-ethylhexyl) phthalate 8.91
    ethyl propionate 16.07
    nitromethane 79.25
    1,2-diethoxyethane 23.7
    benzonitrile 13.11
    trioctyl phosphate 5.89
    1-bromopropane 13.77
    gamma-valerolactone 63.58
    n-decanol 3.96
    triethyl phosphate 13.99
    4-methyl-2-pentanol 4.52
    propionitrile 11.23
    vinylene carbonate 28.77
    1,1,2-trichlorotrifluoroethane 74.29
    DMS 20.3
    cumene 3.12
    2-octanol 3.89
    2-hexanone 12.65
    octyl acetate 7.47
    limonene 5.64
    1,2-dimethoxyethane 53.4
    ethyl orthosilicate 13.09
    tributyl phosphate 7.77
    diacetone alcohol 20.65
    N,N-dimethylaniline 8.93
    acrylonitrile 16.33
    aniline 11.17
    1,3-propanediol 15.6
    bromobenzene 13.63
    dibromomethane 49.88
    1,1,2,2-tetrachloroethane 80.73
    2-methyl-cyclohexyl acetate 15.92
    tetrabutyl urea 10.21
    diisobutyl methanol 4.89
    2-phenylethanol 13.78
    styrene 3.62
    dioctyl adipate 12.07
    dimethyl sulfate 33.84
    ethyl butyrate 14.97
    methyl lactate 14.68
    butyl lactate 12.58
    diethyl carbonate 13.87
    propanediol butyl ether 12.65
    triethyl orthoformate 15.41
    p-tert-butyltoluene 4.49
    methyl 4-tert-butylbenzoate 20.38
    morpholine 41.95
    tert-butylamine 3.98
    n-dodecanol 2.95
    dimethoxymethane 40.69
    ethylene carbonate 25.22
    cyrene 29.09
    2-ethoxyethyl acetate 29.26
    2-ethylhexyl acetate 12.7
    1,2,4-trichlorobenzene 23.99
    4-methylpyridine 17.03
    dibutyl ether 5.97
    2,6-dimethyl-4-heptanol 4.89
    DEF 25.28
    dimethyl isosorbide 44.82
    tetrachloroethylene 58.04
    eugenol 20.79
    triacetin 23.86
    span 80 15.18
    1,4-butanediol 7.0
    1,1-dichloroethane 27.38
    2-methyl-1-pentanol 8.71
    methyl formate 19.82
    2-methyl-1-butanol 7.84
    n-decane 0.68
    butyronitrile 9.3
    3,7-dimethyl-1-octanol 5.46
    1-chlorooctane 3.02
    1-chlorotetradecane 1.42
    n-nonane 0.52
    undecane 0.48
    tert-butylcyclohexane 0.66
    cyclooctane 0.52
    cyclopentanol 8.56
    tetrahydropyran 21.01
    tert-amyl methyl ether 7.97
    2,5,8-trioxanonane 48.83
    1-hexene 1.37
    2-isopropoxyethanol 25.97
    2,2,2-trifluoroethanol 25.09
    methyl butyrate 18.87

    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