Beauvericin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    26048-05-5

    Molecular formula
    C45H57N3O9

    SMILES
    CC(C)[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 39.63%
    Fruity 32.78%
    Caramellic 30.72%
    Odorless 27.86%
    Mint 22.79%
    Spicy 22.66%
    Floral 22.63%
    Nutty 22.1%
    Bitter 19.42%
    Burnt 19.12%

     

    Flavor
    Bitter 69.79%
    Fruity 20.96%
    Cedarleaf 19.94%
    Herbal 19.83%
    Lovage 18.87%
    Broom 18.47%
    Heather 18.39%
    Leaves 18.36%
    Nitrile 18.31%
    Butyric 18.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    5.06 (weak acid)

    Molecular weight
    783.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2410°C

    Flash point

    • 180.74 ˚C est.

  • Synonyms

    • Beauvericin
    • 26048-05-5
    • (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
    • DTXSID00891834
    • 26S048LS2R
    • CHEBI:3000
    • RefChem:116825
    • DTXCID901031255
    • (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tris(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
    • (3R,6S,9R,12S,15R,18S)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
    • (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexaone
    • (3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
    • C45H57N3O9
    • MFCD30541349
    • UNII-26S048LS2R
    • GYSCAQFHASJXRS-FFCOJMSVSA-N
    • SCHEMBL29355
    • CHEMBL249052
    • orb1707579
    • MSK7258
    • HY-N6739
    • MSK7258-100A
    • AKOS030622850
    • CS-W020817
    • FB18149
    • NCGC00380798-01
    • NS00018333
    • A12357
    • Beauvericin Solution in Acetonitrile, 100ug/mL
    • Cyclo[(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-phenylalanyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-phenylalanyl-(2R)-2-hydroxy -3-methylbutanoyl-N-methyl-L-phenylalanyl]
    • 26048-05-5

  • Applications

    Beauvericin (CAS 26048-05-5), a cyclodepsipeptide mycotoxin produced by Beauveria bassiana, is primarily encountered in research and development contexts; its applications include pharmaceutical/biomedical research to explore ionophore mechanisms and general bioactivity, including evaluation of antimicrobial and antifungal activities in exploratory studies; analytical chemistry work, including method development for monitoring and as a reference standard for mycotoxin analysis; agricultural research on entomopathogenic fungi and biocontrol, where insecticidal properties are evaluated as part of biological control strategies; and bioprocess/industrial research involving fermentation and purification workflows to produce, isolate, and study Beauvericin for research use.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.23
    methanol 10.4
    isopropanol 11.76
    water 0.14
    ethyl acetate 73.77
    n-propanol 16.57
    acetone 55.57
    n-butanol 13.26
    acetonitrile 24.41
    DMF 107.69
    toluene 59.16
    isobutanol 12.89
    1,4-dioxane 76.29
    methyl acetate 81.7
    THF 168.33
    2-butanone 68.38
    n-pentanol 16.1
    sec-butanol 20.39
    n-hexane 2.95
    ethylene glycol 4.76
    NMP 281.91
    cyclohexane 3.52
    DMSO 75.55
    n-butyl acetate 39.07
    n-octanol 12.73
    chloroform 233.66
    n-propyl acetate 37.87
    acetic acid 83.43
    dichloromethane 191.24
    cyclohexanone 117.19
    propylene glycol 10.52
    isopropyl acetate 50.09
    DMAc 217.15
    2-ethoxyethanol 42.19
    isopentanol 11.46
    n-heptane 2.45
    ethyl formate 41.18
    1,2-dichloroethane 85.02
    n-hexanol 13.14
    2-methoxyethanol 44.8
    isobutyl acetate 19.42
    tetrachloromethane 39.62
    n-pentyl acetate 48.63
    transcutol 138.81
    n-heptanol 13.13
    ethylbenzene 24.03
    MIBK 28.06
    2-propoxyethanol 49.79
    tert-butanol 14.99
    MTBE 25.17
    2-butoxyethanol 42.57
    propionic acid 57.38
    o-xylene 41.99
    formic acid 25.12
    diethyl ether 27.59
    m-xylene 33.85
    p-xylene 29.53
    chlorobenzene 69.0
    dimethyl carbonate 93.77
    n-octane 1.71
    formamide 39.53
    cyclopentanone 173.55
    2-pentanone 53.1
    anisole 38.2
    cyclopentyl methyl ether 71.99
    gamma-butyrolactone 258.05
    1-methoxy-2-propanol 49.49
    pyridine 106.6
    3-pentanone 57.81
    furfural 183.8
    n-dodecane 1.11
    diethylene glycol 29.5
    diisopropyl ether 9.66
    tert-amyl alcohol 24.92
    acetylacetone 103.5
    n-hexadecane 1.29
    acetophenone 59.74
    methyl propionate 87.97
    isopentyl acetate 31.31
    trichloroethylene 264.35
    n-nonanol 13.41
    cyclohexanol 26.86
    benzyl alcohol 42.16
    2-ethylhexanol 10.81
    isooctanol 11.06
    dipropyl ether 19.08
    1,2-dichlorobenzene 70.48
    ethyl lactate 32.15
    propylene carbonate 134.38
    n-methylformamide 53.27
    2-pentanol 14.28
    n-pentane 2.57
    1-propoxy-2-propanol 43.79
    1-methoxy-2-propyl acetate 64.46
    2-(2-methoxypropoxy) propanol 41.95
    mesitylene 16.0
    ε-caprolactone 134.47
    p-cymene 11.62
    epichlorohydrin 209.05
    1,1,1-trichloroethane 117.84
    2-aminoethanol 10.72
    morpholine-4-carbaldehyde 191.97
    sulfolane 277.81
    2,2,4-trimethylpentane 2.46
    2-methyltetrahydrofuran 93.32
    n-hexyl acetate 42.36
    isooctane 0.98
    2-(2-butoxyethoxy)ethanol 53.8
    sec-butyl acetate 27.83
    tert-butyl acetate 43.19
    decalin 3.13
    glycerin 20.94
    diglyme 99.6
    acrylic acid 74.96
    isopropyl myristate 12.47
    n-butyric acid 60.5
    acetyl acetate 83.85
    di(2-ethylhexyl) phthalate 19.45
    ethyl propionate 42.17
    nitromethane 171.55
    1,2-diethoxyethane 51.33
    benzonitrile 42.26
    trioctyl phosphate 12.29
    1-bromopropane 44.5
    gamma-valerolactone 218.69
    n-decanol 9.13
    triethyl phosphate 22.17
    4-methyl-2-pentanol 8.23
    propionitrile 25.9
    vinylene carbonate 130.6
    1,1,2-trichlorotrifluoroethane 184.21
    DMS 72.01
    cumene 13.17
    2-octanol 11.45
    2-hexanone 36.17
    octyl acetate 19.77
    limonene 15.78
    1,2-dimethoxyethane 59.34
    ethyl orthosilicate 20.32
    tributyl phosphate 15.49
    diacetone alcohol 49.53
    N,N-dimethylaniline 29.86
    acrylonitrile 41.27
    aniline 57.66
    1,3-propanediol 15.41
    bromobenzene 77.16
    dibromomethane 108.94
    1,1,2,2-tetrachloroethane 194.95
    2-methyl-cyclohexyl acetate 27.0
    tetrabutyl urea 22.36
    diisobutyl methanol 6.9
    2-phenylethanol 32.11
    styrene 28.03
    dioctyl adipate 22.79
    dimethyl sulfate 175.69
    ethyl butyrate 31.1
    methyl lactate 70.3
    butyl lactate 40.47
    diethyl carbonate 23.18
    propanediol butyl ether 39.33
    triethyl orthoformate 27.98
    p-tert-butyltoluene 11.3
    methyl 4-tert-butylbenzoate 56.05
    morpholine 82.36
    tert-butylamine 8.25
    n-dodecanol 6.31
    dimethoxymethane 81.81
    ethylene carbonate 95.87
    cyrene 65.67
    2-ethoxyethyl acetate 89.23
    2-ethylhexyl acetate 27.86
    1,2,4-trichlorobenzene 107.32
    4-methylpyridine 104.81
    dibutyl ether 17.88
    2,6-dimethyl-4-heptanol 6.9
    DEF 84.15
    dimethyl isosorbide 75.77
    tetrachloroethylene 126.05
    eugenol 42.94
    triacetin 71.51
    span 80 37.33
    1,4-butanediol 10.79
    1,1-dichloroethane 90.14
    2-methyl-1-pentanol 15.81
    methyl formate 61.55
    2-methyl-1-butanol 15.68
    n-decane 2.22
    butyronitrile 20.38
    3,7-dimethyl-1-octanol 11.02
    1-chlorooctane 10.57
    1-chlorotetradecane 3.84
    n-nonane 1.93
    undecane 1.49
    tert-butylcyclohexane 2.48
    cyclooctane 2.03
    cyclopentanol 38.29
    tetrahydropyran 53.49
    tert-amyl methyl ether 30.1
    2,5,8-trioxanonane 58.75
    1-hexene 10.78
    2-isopropoxyethanol 33.68
    2,2,2-trifluoroethanol 69.42
    methyl butyrate 48.24

    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