Laurotetanine

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  • Identifiers

    CAS number
    128-76-7

    Molecular formula
    C19H21NO4

    SMILES
    COC1=C(C2=C3[C@H](CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 42.26%
    Vanilla 42.03%
    Spicy 37.71%
    Odorless 33.66%
    Sweet 31.58%
    Smoky 31.47%
    Powdery 29.21%
    Balsamic 28.23%
    Burnt 26.18%
    Animal 24.92%

     

    Flavor
    Bitter 93.91%
    Bland 24.86%
    Sweet-like 20.78%
    Cedarleaf 20.19%
    Parsley 19.95%
    Eugenol 18.62%
    Very strong 18.53%
    Indole 18.45%
    Lovage 18.33%
    Cereal 18.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.59 (neutral)

    Molecular weight
    327.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    730°C

    Flash point

    • 218.12 ˚C est.

  • Synonyms

    • Laurotetanine
    • 128-76-7
    • Litsoeine
    • SDW3N623LN
    • DTXSID70904248
    • NSC-106610
    • RefChem:41047
    • DTXCID601333397
    • 4,15,16-trimethoxy-10-azatetracyclo(7.7.1.0^(2,7).0^(13,17))heptadeca-1(17),2(7),3,5,13,15-hexaen-5-ol
    • 1,2,10-trimethoxy-9-hydroxynoraporphine
    • (6aS)-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-9-ol
    • 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-9-ol
    • (6aS)-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
    • UNII-SDW3N623LN
    • NSC 106610
    • 1,2,10-Trimethoxy-6a-alpha-noraporphin-6-ol
    • NSC 106610; Litsoeine; (+)-Laurotetanine
    • Laurotetanine impurity 1
    • LAUROTETANINE [MI]
    • 6aalpha-Noraporphin-9-ol, 1,2,10-trimethoxy-
    • 4H-Dibenzo(de,g)quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)-
    • SCHEMBL905065
    • 6a-alpha-NORAPORPHIN-9-OL, 1,2,10-TRIMETHOXY-
    • CHEMBL464098
    • orb1702084
    • CHEBI:175176
    • AKOS040747017
    • HY-117616
    • CS-0066642
    • H50838
    • Q27289154
    • (6AS)-5,6,6A,7-TETRAHYDRO-1,2,10-TRIMETHOXY-4H-DIBENZO(DE,G)QUINOLIN-9-OL
    • 4H-Dibenzo[de,g]quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (6aS)-
    • 128-76-7

  • Applications

    Laurotetanine (CAS 128-76-7) is commonly used as an intermediate in organic synthesis and as a processing aid in formulation work; in the fragrance and cosmetic arenas, it may function as an odorant or fragrance intermediate; in cosmetics and personal care, it can act as a solvent and/or carrier for fragrance in formulations; in coatings and inks, it may serve as a solvent or flow-modifying additive; in cleaning products, it can be employed as a solvent or formulation aid. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.8
    methanol 9.28
    isopropanol 4.04
    water 0.21
    ethyl acetate 10.33
    n-propanol 5.71
    acetone 8.63
    n-butanol 5.69
    acetonitrile 4.07
    DMF 29.95
    toluene 1.22
    isobutanol 4.43
    1,4-dioxane 11.69
    methyl acetate 7.92
    THF 14.17
    2-butanone 7.2
    n-pentanol 5.58
    sec-butanol 2.57
    n-hexane 0.21
    ethylene glycol 8.48
    NMP 28.31
    cyclohexane 0.48
    DMSO 39.14
    n-butyl acetate 11.18
    n-octanol 4.72
    chloroform 20.81
    n-propyl acetate 10.8
    acetic acid 32.53
    dichloromethane 20.67
    cyclohexanone 18.94
    propylene glycol 2.56
    isopropyl acetate 7.8
    DMAc 36.52
    2-ethoxyethanol 23.68
    isopentanol 6.22
    n-heptane 0.44
    ethyl formate 14.11
    1,2-dichloroethane 15.21
    n-hexanol 7.46
    2-methoxyethanol 30.8
    isobutyl acetate 8.18
    tetrachloromethane 5.07
    n-pentyl acetate 12.43
    transcutol 32.89
    n-heptanol 7.59
    ethylbenzene 1.61
    MIBK 7.05
    2-propoxyethanol 28.18
    tert-butanol 4.91
    MTBE 2.23
    2-butoxyethanol 22.66
    propionic acid 10.44
    o-xylene 1.92
    formic acid 25.41
    diethyl ether 3.98
    m-xylene 1.76
    p-xylene 2.23
    chlorobenzene 5.17
    dimethyl carbonate 13.51
    n-octane 0.41
    formamide 35.3
    cyclopentanone 18.3
    2-pentanone 7.96
    anisole 4.44
    cyclopentyl methyl ether 5.85
    gamma-butyrolactone 28.66
    1-methoxy-2-propanol 16.55
    pyridine 10.1
    3-pentanone 6.18
    furfural 38.1
    n-dodecane 0.44
    diethylene glycol 39.92
    diisopropyl ether 1.65
    tert-amyl alcohol 3.66
    acetylacetone 14.05
    n-hexadecane 0.5
    acetophenone 10.97
    methyl propionate 10.41
    isopentyl acetate 11.49
    trichloroethylene 28.65
    n-nonanol 5.57
    cyclohexanol 5.86
    benzyl alcohol 9.12
    2-ethylhexanol 5.79
    isooctanol 6.72
    dipropyl ether 4.59
    1,2-dichlorobenzene 8.68
    ethyl lactate 11.81
    propylene carbonate 20.06
    n-methylformamide 20.35
    2-pentanol 2.92
    n-pentane 0.25
    1-propoxy-2-propanol 14.53
    1-methoxy-2-propyl acetate 17.28
    2-(2-methoxypropoxy) propanol 16.26
    mesitylene 1.58
    ε-caprolactone 20.66
    p-cymene 3.57
    epichlorohydrin 28.2
    1,1,1-trichloroethane 8.68
    2-aminoethanol 8.28
    morpholine-4-carbaldehyde 39.91
    sulfolane 40.65
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 6.27
    n-hexyl acetate 10.44
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 20.88
    sec-butyl acetate 6.7
    tert-butyl acetate 8.09
    decalin 0.52
    glycerin 14.32
    diglyme 37.21
    acrylic acid 16.84
    isopropyl myristate 5.25
    n-butyric acid 15.62
    acetyl acetate 11.76
    di(2-ethylhexyl) phthalate 9.1
    ethyl propionate 8.54
    nitromethane 37.04
    1,2-diethoxyethane 11.29
    benzonitrile 9.52
    trioctyl phosphate 7.12
    1-bromopropane 4.17
    gamma-valerolactone 38.92
    n-decanol 4.35
    triethyl phosphate 9.69
    4-methyl-2-pentanol 3.0
    propionitrile 5.18
    vinylene carbonate 24.69
    1,1,2-trichlorotrifluoroethane 51.03
    DMS 14.14
    cumene 2.04
    2-octanol 4.09
    2-hexanone 8.23
    octyl acetate 6.96
    limonene 4.28
    1,2-dimethoxyethane 22.91
    ethyl orthosilicate 8.66
    tributyl phosphate 7.76
    diacetone alcohol 13.45
    N,N-dimethylaniline 5.23
    acrylonitrile 9.38
    aniline 4.62
    1,3-propanediol 14.07
    bromobenzene 4.1
    dibromomethane 10.81
    1,1,2,2-tetrachloroethane 24.33
    2-methyl-cyclohexyl acetate 11.36
    tetrabutyl urea 10.43
    diisobutyl methanol 3.86
    2-phenylethanol 12.35
    styrene 1.72
    dioctyl adipate 9.23
    dimethyl sulfate 24.15
    ethyl butyrate 9.48
    methyl lactate 15.53
    butyl lactate 12.98
    diethyl carbonate 9.32
    propanediol butyl ether 12.78
    triethyl orthoformate 9.36
    p-tert-butyltoluene 3.09
    methyl 4-tert-butylbenzoate 15.9
    morpholine 13.97
    tert-butylamine 2.17
    n-dodecanol 3.37
    dimethoxymethane 24.42
    ethylene carbonate 20.74
    cyrene 24.36
    2-ethoxyethyl acetate 21.16
    2-ethylhexyl acetate 9.62
    1,2,4-trichlorobenzene 10.38
    4-methylpyridine 7.2
    dibutyl ether 4.07
    2,6-dimethyl-4-heptanol 3.86
    DEF 15.52
    dimethyl isosorbide 27.93
    tetrachloroethylene 23.68
    eugenol 18.19
    triacetin 15.52
    span 80 12.97
    1,4-butanediol 7.54
    1,1-dichloroethane 6.26
    2-methyl-1-pentanol 5.87
    methyl formate 19.8
    2-methyl-1-butanol 4.68
    n-decane 0.66
    butyronitrile 5.48
    3,7-dimethyl-1-octanol 4.75
    1-chlorooctane 2.81
    1-chlorotetradecane 1.48
    n-nonane 0.49
    undecane 0.52
    tert-butylcyclohexane 0.39
    cyclooctane 0.26
    cyclopentanol 5.38
    tetrahydropyran 5.96
    tert-amyl methyl ether 2.57
    2,5,8-trioxanonane 28.71
    1-hexene 0.9
    2-isopropoxyethanol 15.46
    2,2,2-trifluoroethanol 25.49
    methyl butyrate 11.36

    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