(-)-Beta-narcotine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3860-46-6

    Molecular formula
    C22H23NO7

    SMILES
    CN1CCC2=CC3=C(C(=C2[C@@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 40.99%
    Vanilla 36.94%
    Sweet 32.79%
    Spicy 30.13%
    Powdery 25.97%
    Phenolic 25.67%
    Floral 22.62%
    Creamy 21.31%
    Balsamic 20.11%
    Smoky 19.38%

     

    Flavor
    Bitter 95.55%
    Bland 27.4%
    Sweet-like 19.77%
    Cedarleaf 19.69%
    Parsley 19.13%
    Lovage 17.77%
    Ripe apricot 17.42%
    Cereal 17.08%
    Red fruit 17.03%
    Indole 17.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.05 (weak acid)

    Molecular weight
    413.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    972°C

    Flash point

    • 200.28 ˚C est.

  • Synonyms

    • beta-Narcotine
    • L-beta-Narcotine
    • 3860-46-6
    • (-)-beta-narcotine
    • (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
    • NCGC00016388-01
    • CAS-128-62-1
    • Spectrum_001069
    • Spectrum2_000987
    • Spectrum3_000527
    • Spectrum4_000456
    • Spectrum5_001276
    • Lopac-N-9007
    • BSPBio_002113
    • KBioGR_000872
    • KBioSS_001549
    • SPBio_001053
    • SCHEMBL7862895
    • CHEBI:93592
    • KBio2_001549
    • KBio2_004117
    • KBio2_006685
    • KBio3_001613
    • DTXSID70191919
    • 6035-40-1
    • TNP00034
    • TNP00110
    • CCG-36462
    • AKOS021650200
    • SDCCGMLS-0066644.P001
    • NCGC00015757-01
    • NCGC00015757-02
    • NCGC00015757-03
    • NCGC00015757-06
    • NCGC00016388-03
    • NCGC00017174-01
    • NCGC00017174-02
    • (3R)-3-((5R)-4-methoxy-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxoleno[4,5-g]isoq uinolin-5-yl))-6,7-dimethoxy-3-hydroisobenzofuran-1-one
    • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,R*))-
    • SBI-0206692.P002
    • AB00053507_10
    • BRD-K91301684-003-02-2
    • BRD-K91301684-003-04-8
    • BRD-K91301684-003-05-5
    • Q27165285
    • (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
    • 684-374-6

  • Applications

    (-)-Beta-narcotine (CAS 3860-46-6) is primarily used as an analytical reference standard for alkaloid profiling and as an intermediate in the synthesis of related morphinan compounds; it also serves as a chiral building block for enantioselective synthesis in chemical and pharmaceutical research, and is evaluated in pharmacology studies to explore interactions with opioid receptors. These applications are typically confined to controlled laboratory settings and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.78
    methanol 1.31
    isopropanol 0.71
    water 0.09
    ethyl acetate 5.22
    n-propanol 0.82
    acetone 5.17
    n-butanol 0.98
    acetonitrile 5.2
    DMF 9.09
    toluene 1.14
    isobutanol 0.82
    1,4-dioxane 5.58
    methyl acetate 5.69
    THF 5.38
    2-butanone 4.6
    n-pentanol 1.02
    sec-butanol 0.6
    n-hexane 0.04
    ethylene glycol 1.34
    NMP 16.65
    cyclohexane 0.13
    DMSO 11.86
    n-butyl acetate 5.61
    n-octanol 1.82
    chloroform 22.11
    n-propyl acetate 4.59
    acetic acid 11.98
    dichloromethane 18.88
    cyclohexanone 12.4
    propylene glycol 0.41
    isopropyl acetate 3.83
    DMAc 18.29
    2-ethoxyethanol 4.88
    isopentanol 1.57
    n-heptane 0.08
    ethyl formate 6.98
    1,2-dichloroethane 9.87
    n-hexanol 1.59
    2-methoxyethanol 6.07
    isobutyl acetate 3.83
    tetrachloromethane 3.9
    n-pentyl acetate 6.83
    transcutol 10.09
    n-heptanol 2.27
    ethylbenzene 0.73
    MIBK 3.8
    2-propoxyethanol 8.01
    tert-butanol 1.03
    MTBE 0.59
    2-butoxyethanol 8.06
    propionic acid 3.68
    o-xylene 1.06
    formic acid 9.91
    diethyl ether 0.93
    m-xylene 0.96
    p-xylene 1.29
    chlorobenzene 4.26
    dimethyl carbonate 7.09
    n-octane 0.08
    formamide 11.41
    cyclopentanone 11.65
    2-pentanone 4.01
    anisole 1.81
    cyclopentyl methyl ether 1.96
    gamma-butyrolactone 17.93
    1-methoxy-2-propanol 3.32
    pyridine 7.68
    3-pentanone 3.71
    furfural 22.88
    n-dodecane 0.13
    diethylene glycol 11.36
    diisopropyl ether 0.41
    tert-amyl alcohol 0.84
    acetylacetone 9.62
    n-hexadecane 0.15
    acetophenone 5.67
    methyl propionate 4.75
    isopentyl acetate 6.03
    trichloroethylene 27.08
    n-nonanol 2.23
    cyclohexanol 1.67
    benzyl alcohol 3.65
    2-ethylhexanol 1.7
    isooctanol 2.27
    dipropyl ether 0.99
    1,2-dichlorobenzene 6.21
    ethyl lactate 4.31
    propylene carbonate 13.07
    n-methylformamide 6.1
    2-pentanol 0.58
    n-pentane 0.04
    1-propoxy-2-propanol 4.44
    1-methoxy-2-propyl acetate 7.52
    2-(2-methoxypropoxy) propanol 7.95
    mesitylene 0.69
    ε-caprolactone 12.75
    p-cymene 1.36
    epichlorohydrin 16.02
    1,1,1-trichloroethane 8.8
    2-aminoethanol 1.13
    morpholine-4-carbaldehyde 17.65
    sulfolane 22.13
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 2.81
    n-hexyl acetate 5.82
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 8.46
    sec-butyl acetate 2.98
    tert-butyl acetate 3.58
    decalin 0.13
    glycerin 2.57
    diglyme 16.07
    acrylic acid 6.84
    isopropyl myristate 2.81
    n-butyric acid 5.99
    acetyl acetate 9.51
    di(2-ethylhexyl) phthalate 5.8
    ethyl propionate 3.75
    nitromethane 26.27
    1,2-diethoxyethane 4.11
    benzonitrile 8.04
    trioctyl phosphate 4.06
    1-bromopropane 2.04
    gamma-valerolactone 22.69
    n-decanol 1.64
    triethyl phosphate 4.83
    4-methyl-2-pentanol 0.81
    propionitrile 4.14
    vinylene carbonate 17.26
    1,1,2-trichlorotrifluoroethane 28.14
    DMS 8.12
    cumene 0.73
    2-octanol 1.38
    2-hexanone 3.99
    octyl acetate 3.9
    limonene 1.27
    1,2-dimethoxyethane 7.52
    ethyl orthosilicate 3.78
    tributyl phosphate 4.7
    diacetone alcohol 5.81
    N,N-dimethylaniline 1.6
    acrylonitrile 8.33
    aniline 2.33
    1,3-propanediol 2.61
    bromobenzene 3.82
    dibromomethane 8.58
    1,1,2,2-tetrachloroethane 17.93
    2-methyl-cyclohexyl acetate 5.86
    tetrabutyl urea 6.6
    diisobutyl methanol 1.02
    2-phenylethanol 5.76
    styrene 0.8
    dioctyl adipate 5.34
    dimethyl sulfate 12.91
    ethyl butyrate 4.19
    methyl lactate 4.82
    butyl lactate 6.3
    diethyl carbonate 4.58
    propanediol butyl ether 4.42
    triethyl orthoformate 3.86
    p-tert-butyltoluene 0.98
    methyl 4-tert-butylbenzoate 7.97
    morpholine 4.91
    tert-butylamine 0.42
    n-dodecanol 1.25
    dimethoxymethane 6.23
    ethylene carbonate 14.24
    cyrene 12.45
    2-ethoxyethyl acetate 10.39
    2-ethylhexyl acetate 5.06
    1,2,4-trichlorobenzene 7.66
    4-methylpyridine 5.96
    dibutyl ether 1.4
    2,6-dimethyl-4-heptanol 1.02
    DEF 6.68
    dimethyl isosorbide 15.09
    tetrachloroethylene 15.9
    eugenol 10.07
    triacetin 9.0
    span 80 5.85
    1,4-butanediol 1.53
    1,1-dichloroethane 5.58
    2-methyl-1-pentanol 1.47
    methyl formate 7.8
    2-methyl-1-butanol 1.12
    n-decane 0.18
    butyronitrile 3.46
    3,7-dimethyl-1-octanol 2.02
    1-chlorooctane 1.06
    1-chlorotetradecane 0.57
    n-nonane 0.13
    undecane 0.15
    tert-butylcyclohexane 0.08
    cyclooctane 0.06
    cyclopentanol 1.66
    tetrahydropyran 2.4
    tert-amyl methyl ether 0.71
    2,5,8-trioxanonane 13.07
    1-hexene 0.19
    2-isopropoxyethanol 3.89
    2,2,2-trifluoroethanol 14.47
    methyl butyrate 5.45

    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