Aflatoxin B2

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  • Identifiers

    CAS number
    7220-81-7

    Molecular formula
    C17H14O6

    SMILES
    COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 44.23%
    Coumarinic 39.21%
    Coconut 36.82%
    Spicy 32.09%
    Vanilla 30.95%
    Lactonic 30.53%
    Odorless 30.1%
    Creamy 28.22%
    Powdery 25.3%
    Nutty 25.03%

     

    Flavor
    Bitter 95.58%
    Bland 20.93%
    Cedarleaf 18.68%
    Sweet-like 18.3%
    Lovage 18.01%
    Parsley 17.84%
    Ripe apricot 17.1%
    Cereal 16.81%
    Red fruit 16.77%
    Nitrile 16.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.75 (weak acid)

    Molecular weight
    314.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    793°C

    Melting point expt.

    • 287.5 °C

    Flash point

    • 230.56 ˚C est.

  • Synonyms

    • AFLATOXIN B2
    • 7220-81-7
    • Dihydroaflatoxin B1
    • Dihydroaflatoxine B1
    • CCRIS 13
    • 7SKR7S646P
    • BRN 1355115
    • (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
    • CHEBI:48209
    • DTXSID70222535
    • 5-19-10-00552 (Beilstein Handbook Reference)
    • (6aR,9aS)-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
    • 2,3,6aalpha,8,9,9aalpha-Hexahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
    • 2,3,6aalpha,8,9,9aalpha-hexahydro-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
    • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a-alpha,8,9,9a-alpha-hexahydro-4-methoxy-
    • (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo(10.7.0.02,9.03,7.013,17)nonadeca-1,9,11,13(17)-tetraene-16,18-dione
    • (6aR,9aS)-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta(c)furo(3',2':4,5)furo(2,3-h)chromene-1,11-dione
    • CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,8,9,9A-HEXAHYDRO-4-METHOXY-, (6AR-CIS)-
    • RefChem:110030
    • DTXCID00145026
    • 11-methoxy-6,8,19-trioxapentacyclo(10.7.0.02,9.03,7.013,17)nonadeca-1(12),2(9),10,13(17)-tetraene-16,18-dione
    • 230-618-8
    • AFB2
    • aflatoxin-B(2)
    • (6aR,9aS)-2,3,6a,8,9,9ahexahydro-4-methoxy-cyclopenta[c]furo[3',2':4,5]furo[2,3h][1]benzopyran-1,11-dione
    • AFLATOXINB2
    • 2,3,6aalpha,8,9,9aalpha-hexahydro-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
    • Aflatoxin B2 0.5 microg/mL in Acetonitrile
    • UNII-7SKR7S646P
    • HSDB 3454
    • CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,8,9,9A-HEXAHYDRO-4-METHOXY-, (6AR,9AS)-
    • Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-4-methoxy-, (6aR,9aS)-
    • EINECS 230-618-8
    • MFCD00078140
    • Dihyd roaflatoxine B1
    • AFLATOXIN B [MI]
    • AFLATOXIN B2 [HSDB]
    • SCHEMBL14424508
    • Aflatoxin B2, reference material
    • MSK7206
    • WWSYXEZEXMQWHT-WNWIJWBNSA-N
    • GLXC-21058
    • MSK7206-100A
    • Aflatoxin B2, from Aspergillus flavus
    • FA17233
    • NCGC00347116-02
    • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6aalpha,8,9,9aalpha-hexahydro-4-methoxy-
    • DA-70627
    • Aflatoxin B2 3.8microg/g in Acetonitrile
    • ST50405316
    • 4,5]furo[2,3-h][1]benzopyran-1,11-dione
    • G12271
    • 220A817
    • Aflatoxin B2 solution in Acetonitrile, 100ug/mL
    • Q26840819
    • (6aR-cis)-2,3,6a,8,9,9a-hexahydro-4-methoxycyclopenta[c]furo[3',2'
    • (6aR,9aS)-2,3,6a,8,9,9a-Hexahydro-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
    • (6aR,9aS)-4-Methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
    • (6aR,9aS)-4-methoxy-2,3,9,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11(6aH,8H)-dione
    • (6aR-cis)-2,3,6a,8,9,9a-hexahydro-4-methoxycyclopenta[c]furo[3',2';4,5]furo[2,3-h][1]benzopyran-1,11-dione
    • (9aS,6aR)-4-methoxy-2,3,6a,9a-tetrahydro-8H,9H-cyclopenta[1,2-c]oxolano[3',2'- 5,4]furano[2,3-h]chromene-1,11-dione
    • 2,3,6AALPHA,8,9,9AALPHA-HEXAHYDRO-4- METHOXYCYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN- 1,11-DIONE
    • 2,3,6aalpha,8,9,9aalpha-Hexahydro-4-methoxycyclopenta(c)furo(2',3':4,5)furo(2,3-h)chromene-1,11-dione
    • 7220-81-7

  • Applications

    Aflatoxin B2 (CAS 7220-81-7) is primarily used as an analytical standard and reference material for mycotoxin testing, enabling calibration and evaluation of LC-MS/MS, HPLC, and immunoassay methods for detecting aflatoxins in food, agricultural commodities, and processed products. It is employed in toxicology research to study toxicity and metabolic pathways, supporting risk assessment and the basis for setting safety limits. In laboratory quality control, B2 serves as a reference sample and calibration standard for analytical instrumentation in the food, agriculture, and processing sectors. It also supports method development and validation of surveillance approaches for aflatoxin residues along the production and storage chain.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.17
    methanol 1.76
    isopropanol 1.09
    water 0.01
    ethyl acetate 16.63
    n-propanol 1.23
    acetone 23.87
    n-butanol 1.79
    acetonitrile 14.32
    DMF 41.03
    toluene 5.73
    isobutanol 1.56
    1,4-dioxane 21.95
    methyl acetate 20.72
    THF 32.63
    2-butanone 20.66
    n-pentanol 1.75
    sec-butanol 1.22
    n-hexane 0.04
    ethylene glycol 2.05
    NMP 89.09
    cyclohexane 0.21
    DMSO 58.17
    n-butyl acetate 14.25
    n-octanol 1.93
    chloroform 44.71
    n-propyl acetate 14.77
    acetic acid 23.36
    dichloromethane 49.64
    cyclohexanone 48.52
    propylene glycol 1.28
    isopropyl acetate 12.49
    DMAc 75.37
    2-ethoxyethanol 11.12
    isopentanol 3.2
    n-heptane 0.07
    ethyl formate 14.08
    1,2-dichloroethane 28.18
    n-hexanol 2.33
    2-methoxyethanol 16.98
    isobutyl acetate 12.77
    tetrachloromethane 3.18
    n-pentyl acetate 11.65
    transcutol 33.51
    n-heptanol 2.34
    ethylbenzene 2.73
    MIBK 11.38
    2-propoxyethanol 18.61
    tert-butanol 2.03
    MTBE 1.83
    2-butoxyethanol 13.37
    propionic acid 10.64
    o-xylene 3.95
    formic acid 10.71
    diethyl ether 1.91
    m-xylene 4.01
    p-xylene 5.21
    chlorobenzene 16.62
    dimethyl carbonate 22.05
    n-octane 0.04
    formamide 19.82
    cyclopentanone 57.9
    2-pentanone 14.77
    anisole 9.15
    cyclopentyl methyl ether 9.22
    gamma-butyrolactone 73.52
    1-methoxy-2-propanol 11.65
    pyridine 34.86
    3-pentanone 13.0
    furfural 79.18
    n-dodecane 0.11
    diethylene glycol 22.93
    diisopropyl ether 0.92
    tert-amyl alcohol 2.11
    acetylacetone 37.13
    n-hexadecane 0.14
    acetophenone 22.27
    methyl propionate 17.34
    isopentyl acetate 16.19
    trichloroethylene 83.66
    n-nonanol 2.49
    cyclohexanol 4.75
    benzyl alcohol 13.76
    2-ethylhexanol 3.17
    isooctanol 2.73
    dipropyl ether 2.31
    1,2-dichlorobenzene 17.85
    ethyl lactate 13.76
    propylene carbonate 43.28
    n-methylformamide 17.61
    2-pentanol 1.18
    n-pentane 0.04
    1-propoxy-2-propanol 12.17
    1-methoxy-2-propyl acetate 24.78
    2-(2-methoxypropoxy) propanol 21.67
    mesitylene 2.27
    ε-caprolactone 39.88
    p-cymene 3.35
    epichlorohydrin 67.63
    1,1,1-trichloroethane 18.77
    2-aminoethanol 2.19
    morpholine-4-carbaldehyde 74.02
    sulfolane 96.45
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 14.5
    n-hexyl acetate 11.86
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 19.18
    sec-butyl acetate 10.42
    tert-butyl acetate 12.76
    decalin 0.25
    glycerin 8.25
    diglyme 40.88
    acrylic acid 19.45
    isopropyl myristate 6.28
    n-butyric acid 13.91
    acetyl acetate 23.0
    di(2-ethylhexyl) phthalate 12.76
    ethyl propionate 13.17
    nitromethane 64.65
    1,2-diethoxyethane 9.68
    benzonitrile 25.88
    trioctyl phosphate 7.64
    1-bromopropane 4.88
    gamma-valerolactone 87.02
    n-decanol 2.01
    triethyl phosphate 12.69
    4-methyl-2-pentanol 1.69
    propionitrile 9.97
    vinylene carbonate 49.6
    1,1,2-trichlorotrifluoroethane 67.62
    DMS 25.71
    cumene 2.25
    2-octanol 1.49
    2-hexanone 13.07
    octyl acetate 8.19
    limonene 3.5
    1,2-dimethoxyethane 23.17
    ethyl orthosilicate 9.9
    tributyl phosphate 10.03
    diacetone alcohol 18.71
    N,N-dimethylaniline 6.98
    acrylonitrile 22.81
    aniline 11.85
    1,3-propanediol 5.18
    bromobenzene 15.52
    dibromomethane 19.84
    1,1,2,2-tetrachloroethane 49.19
    2-methyl-cyclohexyl acetate 16.58
    tetrabutyl urea 14.62
    diisobutyl methanol 2.27
    2-phenylethanol 15.35
    styrene 3.74
    dioctyl adipate 13.25
    dimethyl sulfate 45.21
    ethyl butyrate 12.45
    methyl lactate 18.93
    butyl lactate 13.09
    diethyl carbonate 11.99
    propanediol butyl ether 9.68
    triethyl orthoformate 10.72
    p-tert-butyltoluene 2.61
    methyl 4-tert-butylbenzoate 21.03
    morpholine 18.98
    tert-butylamine 0.75
    n-dodecanol 1.63
    dimethoxymethane 21.88
    ethylene carbonate 38.24
    cyrene 36.31
    2-ethoxyethyl acetate 22.01
    2-ethylhexyl acetate 13.36
    1,2,4-trichlorobenzene 27.02
    4-methylpyridine 29.86
    dibutyl ether 2.49
    2,6-dimethyl-4-heptanol 2.27
    DEF 22.14
    dimethyl isosorbide 40.84
    tetrachloroethylene 29.71
    eugenol 22.82
    triacetin 24.73
    span 80 14.21
    1,4-butanediol 2.69
    1,1-dichloroethane 15.98
    2-methyl-1-pentanol 3.18
    methyl formate 22.41
    2-methyl-1-butanol 2.49
    n-decane 0.13
    butyronitrile 8.1
    3,7-dimethyl-1-octanol 3.29
    1-chlorooctane 1.21
    1-chlorotetradecane 0.8
    n-nonane 0.08
    undecane 0.12
    tert-butylcyclohexane 0.16
    cyclooctane 0.07
    cyclopentanol 5.21
    tetrahydropyran 9.18
    tert-amyl methyl ether 2.24
    2,5,8-trioxanonane 33.94
    1-hexene 0.37
    2-isopropoxyethanol 9.59
    2,2,2-trifluoroethanol 19.97
    methyl butyrate 17.56

    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