Berberine

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  • Identifiers

    CAS number
    2086-83-1

    Molecular formula
    C20H18NO4+

    SMILES
    COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 46.55%
    Spicy 40.71%
    Sweet 40.06%
    Powdery 38.72%
    Phenolic 37.74%
    Musk 32.78%
    Vanilla 32.12%
    Animal 30.74%
    Balsamic 26.48%
    Fruity 24.02%

     

    Flavor
    Bitter 95.58%
    Parsley 18.67%
    Cedarleaf 18.6%
    Very strong 18.57%
    Indole 18.44%
    Eugenol 17.86%
    Sweet-like 17.83%
    Cereal 17.71%
    Naphthalic 17.37%
    Alkaline 17.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    5.81 (weak acid)

    Molecular weight
    336.4 g/mol

    Melting point expt.

    • 145 °C

    Flash point

    • 226.47 ˚C est.

  • Synonyms

    • berberine
    • 2086-83-1
    • Umbellatine
    • Berberin
    • Berbericine
    • Majarine
    • Thalsine
    • Umbellatin
    • Berberone
    • Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-
    • 0I8Y3P32UF
    • DTXSID9043857
    • Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-
    • 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
    • CHEBI:16118
    • 9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium
    • 5,6-DIHYDRO-9,10-DIMETHOXY-1,3-BENZODIOXOLO(5,6-A)BENZO(G)QUINOLIZINIUM
    • 9,10-DIMETHOXY-5,6-DIHYDRO(1,3)DIOXOLO(4,5-G)ISOQUINO(3,2-A)ISOQUINOLIN-7-IUM
    • 16,17-dimethoxy-5,7-dioxa-13$l^(5)-azapentacyclo(11.8.0.0^(2,10).0^(4,8).0^(15,20))henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
    • 16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
    • 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-1(13),2,4(8),9,14,16,18,20-octaene
    • RefChem:5599
    • DTXCID7023857
    • 218-229-1
    • 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
    • MFCD01175817
    • Berberal
    • ST055798
    • 9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetrahydroberbinium
    • 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
    • CHEMBL12089
    • GNF-PF-4545
    • BER
    • NSC646666
    • NCGC00016526-02
    • NCGC00016526-07
    • CAS-633-65-8
    • Berbinium
    • berberine dimer
    • Coptis rhizome
    • Berberinechloride
    • C20H18NO4
    • 5,6-DIHYDRO-9,10-DIMETHOXYBENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM
    • EINECS 218-229-1
    • Umbellatine (6CI)
    • BRN 3570374
    • Spectrum_001110
    • Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride
    • BERBERINE [MI]
    • Prestwick0_000586
    • Prestwick1_000586
    • Prestwick2_000586
    • Prestwick3_000586
    • Spectrum2_000894
    • Spectrum3_000618
    • Spectrum4_000785
    • Spectrum5_001458
    • BERBERINE [VANDF]
    • 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium
    • BERBERINE [MART.]
    • UPCMLD-DP032
    • NCIMech_000354
    • BERBERINE [WHO-DD]
    • UNII-0I8Y3P32UF
    • SCHEMBL25632
    • BSPBio_000432
    • BSPBio_002156
    • KBioGR_001230
    • KBioSS_001590
    • cid_12456
    • DivK1c_000265
    • inverted exclamation markY97%
    • SPBio_000708
    • SPBio_002651
    • BPBio1_000476
    • CHEMBL295124
    • MEGxp0_001923
    • orb1302341
    • SCHEMBL29354144
    • SCHEMBL30153843
    • UPCMLD-DP032:001
    • ACon1_001957
    • BCBcMAP01_000112
    • GTPL11353
    • KBio1_000265
    • KBio2_001590
    • KBio2_004158
    • KBio2_006726
    • KBio3_001656
    • NINDS_000265
    • 34MD1011DM
    • HMS3561D13
    • HMS5086K15
    • HY-N0716
    • AC-117
    • BBL029198
    • BDBM50203126
    • CCG-35898
    • s9046
    • STK870320
    • 5,6-dihydro-9,10-dimethoxy-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
    • AKOS002141363
    • DB04115
    • SDCCGMLS-0066718.P001
    • 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo-[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
    • BERBINIUM, 7,8,13,13a-TETRAHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-
    • IDI1_000265
    • SMP1_000298
    • NCGC00016526-01
    • NCGC00016526-03
    • NCGC00016526-04
    • NCGC00016526-05
    • NCGC00016526-06
    • NCGC00016526-08
    • NCGC00016526-11
    • NCGC00016526-13
    • NCGC00016526-19
    • NCGC00091896-03
    • NCI60_001050
    • NCI60_001224
    • NCI60_004319
    • SY232626
    • SBI-0051613.P002
    • DB-050153
    • CS-0009734
    • NS00009669
    • C00757
    • 2086-83-1

  • Applications

    Berberine (CAS 2086-83-1) is a natural isoquinoline alkaloid that functions as a natural colorant and pigment in textiles, leather, inks, and coatings, and is also used as a colorant additive in polymer and plastic formulations to impart a yellow hue. In cosmetics and personal care, berberine is used as a natural pigment for color cosmetics. In pharmaceutical research, it serves as a scaffold and intermediate for the synthesis of related compounds. In agriculture, berberine-containing extracts are studied for antimicrobial and antifungal activities as components of plant-protection formulations. Additionally, its fluorescent properties are leveraged in research as a tracer and marker for biosensing and imaging applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.82
    methanol 1.66
    isopropanol 1.51
    water 0.01
    ethyl acetate 9.68
    n-propanol 1.71
    acetone 8.38
    n-butanol 2.2
    acetonitrile 5.14
    DMF 7.11
    toluene 4.58
    isobutanol 1.59
    1,4-dioxane 17.23
    methyl acetate 7.21
    THF 19.4
    2-butanone 7.52
    n-pentanol 2.44
    sec-butanol 1.0
    n-hexane 0.21
    ethylene glycol 1.29
    NMP 6.73
    cyclohexane 0.65
    DMSO 16.38
    n-butyl acetate 8.46
    n-octanol 2.28
    chloroform 36.45
    n-propyl acetate 9.53
    acetic acid 10.63
    dichloromethane 45.91
    cyclohexanone 14.43
    propylene glycol 0.27
    isopropyl acetate 8.32
    DMAc 13.77
    2-ethoxyethanol 10.71
    isopentanol 3.23
    n-heptane 0.51
    ethyl formate 7.82
    1,2-dichloroethane 26.73
    n-hexanol 3.37
    2-methoxyethanol 10.07
    isobutyl acetate 9.35
    tetrachloromethane 5.8
    n-pentyl acetate 9.51
    transcutol 24.21
    n-heptanol 3.42
    ethylbenzene 3.1
    MIBK 7.73
    2-propoxyethanol 14.59
    tert-butanol 2.18
    MTBE 2.37
    2-butoxyethanol 11.36
    propionic acid 3.35
    o-xylene 3.8
    formic acid 6.35
    diethyl ether 5.02
    m-xylene 3.73
    p-xylene 4.69
    chlorobenzene 8.3
    dimethyl carbonate 8.54
    n-octane 0.4
    formamide 11.2
    cyclopentanone 14.18
    2-pentanone 7.14
    anisole 6.31
    cyclopentyl methyl ether 6.57
    gamma-butyrolactone 17.95
    1-methoxy-2-propanol 5.31
    pyridine 17.99
    3-pentanone 7.29
    furfural 27.3
    n-dodecane 0.43
    diethylene glycol 14.84
    diisopropyl ether 2.32
    tert-amyl alcohol 1.51
    acetylacetone 14.96
    n-hexadecane 0.52
    acetophenone 11.22
    methyl propionate 6.92
    isopentyl acetate 11.06
    trichloroethylene 48.92
    n-nonanol 3.08
    cyclohexanol 2.67
    benzyl alcohol 6.77
    2-ethylhexanol 3.64
    isooctanol 3.78
    dipropyl ether 5.23
    1,2-dichlorobenzene 12.01
    ethyl lactate 4.73
    propylene carbonate 10.66
    n-methylformamide 5.13
    2-pentanol 1.36
    n-pentane 0.24
    1-propoxy-2-propanol 7.29
    1-methoxy-2-propyl acetate 13.31
    2-(2-methoxypropoxy) propanol 10.44
    mesitylene 2.79
    ε-caprolactone 12.1
    p-cymene 4.19
    epichlorohydrin 33.62
    1,1,1-trichloroethane 16.32
    2-aminoethanol 1.33
    morpholine-4-carbaldehyde 17.05
    sulfolane 18.62
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 7.54
    n-hexyl acetate 7.75
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 12.74
    sec-butyl acetate 7.54
    tert-butyl acetate 8.92
    decalin 0.59
    glycerin 2.0
    diglyme 31.02
    acrylic acid 5.07
    isopropyl myristate 5.03
    n-butyric acid 6.92
    acetyl acetate 12.56
    di(2-ethylhexyl) phthalate 6.32
    ethyl propionate 8.66
    nitromethane 20.73
    1,2-diethoxyethane 12.64
    benzonitrile 10.18
    trioctyl phosphate 4.37
    1-bromopropane 6.77
    gamma-valerolactone 24.83
    n-decanol 2.5
    triethyl phosphate 8.57
    4-methyl-2-pentanol 1.82
    propionitrile 6.21
    vinylene carbonate 15.34
    1,1,2-trichlorotrifluoroethane 27.05
    DMS 10.83
    cumene 3.08
    2-octanol 2.12
    2-hexanone 8.51
    octyl acetate 5.53
    limonene 3.8
    1,2-dimethoxyethane 20.51
    ethyl orthosilicate 7.95
    tributyl phosphate 5.38
    diacetone alcohol 8.01
    N,N-dimethylaniline 5.26
    acrylonitrile 9.5
    aniline 5.23
    1,3-propanediol 3.83
    bromobenzene 9.26
    dibromomethane 23.08
    1,1,2,2-tetrachloroethane 29.13
    2-methyl-cyclohexyl acetate 11.08
    tetrabutyl urea 7.5
    diisobutyl methanol 3.04
    2-phenylethanol 10.1
    styrene 3.25
    dioctyl adipate 7.86
    dimethyl sulfate 13.42
    ethyl butyrate 9.57
    methyl lactate 3.72
    butyl lactate 6.29
    diethyl carbonate 9.42
    propanediol butyl ether 3.95
    triethyl orthoformate 8.92
    p-tert-butyltoluene 3.36
    methyl 4-tert-butylbenzoate 12.72
    morpholine 11.72
    tert-butylamine 1.22
    n-dodecanol 2.09
    dimethoxymethane 15.04
    ethylene carbonate 12.97
    cyrene 12.48
    2-ethoxyethyl acetate 17.28
    2-ethylhexyl acetate 9.0
    1,2,4-trichlorobenzene 13.04
    4-methylpyridine 10.01
    dibutyl ether 4.27
    2,6-dimethyl-4-heptanol 3.04
    DEF 8.47
    dimethyl isosorbide 22.77
    tetrachloroethylene 25.85
    eugenol 13.19
    triacetin 11.86
    span 80 6.46
    1,4-butanediol 1.84
    1,1-dichloroethane 11.28
    2-methyl-1-pentanol 3.17
    methyl formate 6.34
    2-methyl-1-butanol 2.1
    n-decane 0.66
    butyronitrile 5.51
    3,7-dimethyl-1-octanol 3.11
    1-chlorooctane 2.36
    1-chlorotetradecane 1.38
    n-nonane 0.49
    undecane 0.52
    tert-butylcyclohexane 0.43
    cyclooctane 0.34
    cyclopentanol 2.24
    tetrahydropyran 8.6
    tert-amyl methyl ether 2.22
    2,5,8-trioxanonane 22.81
    1-hexene 0.98
    2-isopropoxyethanol 8.34
    2,2,2-trifluoroethanol 8.88
    methyl butyrate 9.22

    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