Aflatoxin G1

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  • Identifiers

    CAS number
    1165-39-5

    Molecular formula
    C17H12O7

    SMILES
    COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 44.23%
    Spicy 40.5%
    Coumarinic 40.37%
    Coconut 36.93%
    Odorless 30.3%
    Lactonic 27.86%
    Herbal 27.51%
    Nutty 27.43%
    Green 26.59%
    Vanilla 26.08%

     

    Flavor
    Bitter 95.05%
    Bland 20.71%
    Cedarleaf 18.48%
    Sweet-like 18.14%
    Lovage 18.01%
    Parsley 17.89%
    Ripe apricot 17.17%
    Red fruit 16.91%
    Cereal 16.67%
    Nitrile 16.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    4.7 (weak acid)

    Molecular weight
    328.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    969°C

    Melting point expt.

    • 245 °C

    Flash point

    • 235.39 ˚C est.

  • Synonyms

    • AFLATOXIN G1
    • 1165-39-5
    • CCRIS 14
    • 1DB78J7PUD
    • DTXSID6040959
    • BRN 1299768
    • 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione,3,4,7a,10a-tetrahydro-5-methoxy-, (7aR-cis)-
    • aflatoxin G(1)
    • (7AR,cis)3,4,7a,10a-tetrahydro-5-methoxy-1H,12H-furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)chromene-1,12-dione
    • 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-
    • 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7aR,10aS)-
    • RefChem:110032
    • DTXCID801775218
    • 214-615-9
    • (3R,7S)-11-methoxy-6,8,16,20-tetraoxapentacyclo(10.8.0.02,9.03,7.013,18)icosa-1,4,9,11,13(18)-pentaene-17,19-dione
    • 11-methoxy-6,8,16,20-tetraoxapentacyclo(10.8.0.02,9.03,7.013,18)icosa-1,4,9,11,13(18)-pentaene-17,19-dione
    • (7aR,10aS)-3,4,7a,10a-tetrahydro-5-methoxy-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione
    • UNII-1DB78J7PUD
    • Aflatoxin G1, from Aspergillus flavus
    • HSDB 3455
    • 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7aR-cis)-
    • Aflatoxin G1 2 microg/mL in Acetonitrile
    • EINECS 214-615-9
    • AFLATOXIN G1 [MI]
    • AFLATOXIN G1 [HSDB]
    • 5-19-12-00081 (Beilstein Handbook Reference)
    • orb1684786
    • SCHEMBL30033538
    • CHEBI:80706
    • EX-A4122
    • HY-N6697
    • AKOS040760258
    • Aflatoxin G1 3.78microg/g in Acetonitrile
    • CS-0093065
    • ST50405313
    • F92906
    • Q27094976
    • rac-Des(4-cyclohexyl-L-proline) Fosinopril Acetic Acid
    • (12aS,9aR)-7-methoxy-5,12a,9a-trihydro-6H-pyrano[3'',4''-4',3']chromeno[8',7'- 4,5]furano[2,3-b]furan-2,3-dione
    • (7aR,10aS)-5-Methoxy-3,4,7a,10a-tetrahydro-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione
    • (7aR,10aS)-5-methoxy-3,4-dihydrofuro[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12(7aH,10aH)-dione
    • (7AR,CIS)3,4,7A,10A-TETRAHYDRO-5-METHOXY-1H,12H- FURO(3',2':4,5)FURO(2,3-H)PYRANO(3,4-C)CHROMENE-1,12-DIONE
    • 1H,12H-FURO(3',2':4,5)FURO(2,3-H)PYRANO(3,4-C)(1)BENZOPYRAN- 1,12-DIONE, 3,4,7A,10A-TETRAHYDRO-5-METHOXY-
    • 1H,12H-FURO(3',2':4,5)FURO(2,3-H)PYRANO(3,4-C)(1)BENZOPYRAN- 1,12-DIONE,3,4,7A,10A-TETRAHYDRO-5-METHOXY-, (7AR-CIS)-
    • 5-Methoxy-3,4,7a,10a-tetrahydro-1H,12H-furo[3',2':4,5]furo[2,3-H]pyrano[3,4-c]chromene-1,12-dione
    • 1165-39-5

  • Applications

    Aflatoxin G1 (CAS 1165-39-5) is primarily used in analytical toxicology and food-safety contexts as a reference standard and target analyte for quantifying aflatoxins in cereals, oils, and processed foods. It is used in toxicology research to study mechanisms of carcinogenicity and exposure assessment. Analytical methods such as HPLC and LC-MS, and immunoassays, are calibrated with this compound to ensure sensitivity and selectivity. In quality-control and regulatory programs, it serves as a calibrant for monitoring contamination levels and validating detoxification or adsorption approaches in agricultural commodities and food processing workflows. It may also be used in detoxification studies to evaluate mitigation strategies for aflatoxin contamination.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.61
    methanol 1.02
    isopropanol 0.49
    water 0.01
    ethyl acetate 9.47
    n-propanol 0.59
    acetone 12.97
    n-butanol 0.7
    acetonitrile 9.67
    DMF 25.28
    toluene 2.28
    isobutanol 0.62
    1,4-dioxane 12.81
    methyl acetate 12.36
    THF 17.47
    2-butanone 10.21
    n-pentanol 0.63
    sec-butanol 0.5
    n-hexane 0.02
    ethylene glycol 1.3
    NMP 66.61
    cyclohexane 0.09
    DMSO 46.04
    n-butyl acetate 6.9
    n-octanol 0.72
    chloroform 16.66
    n-propyl acetate 7.03
    acetic acid 11.6
    dichloromethane 20.37
    cyclohexanone 23.57
    propylene glycol 0.74
    isopropyl acetate 5.87
    DMAc 53.7
    2-ethoxyethanol 5.43
    isopentanol 1.01
    n-heptane 0.04
    ethyl formate 8.26
    1,2-dichloroethane 12.68
    n-hexanol 0.78
    2-methoxyethanol 9.94
    isobutyl acetate 4.9
    tetrachloromethane 1.22
    n-pentyl acetate 4.8
    transcutol 17.17
    n-heptanol 0.8
    ethylbenzene 1.06
    MIBK 4.82
    2-propoxyethanol 9.89
    tert-butanol 0.79
    MTBE 0.7
    2-butoxyethanol 6.05
    propionic acid 5.44
    o-xylene 1.63
    formic acid 7.81
    diethyl ether 0.98
    m-xylene 1.65
    p-xylene 2.02
    chlorobenzene 6.05
    dimethyl carbonate 13.5
    n-octane 0.02
    formamide 15.25
    cyclopentanone 31.37
    2-pentanone 6.86
    anisole 4.09
    cyclopentyl methyl ether 4.27
    gamma-butyrolactone 44.03
    1-methoxy-2-propanol 6.04
    pyridine 18.65
    3-pentanone 6.49
    furfural 46.7
    n-dodecane 0.05
    diethylene glycol 12.9
    diisopropyl ether 0.38
    tert-amyl alcohol 0.78
    acetylacetone 21.36
    n-hexadecane 0.06
    acetophenone 10.36
    methyl propionate 10.5
    isopentyl acetate 7.12
    trichloroethylene 39.54
    n-nonanol 0.91
    cyclohexanol 1.72
    benzyl alcohol 5.76
    2-ethylhexanol 1.1
    isooctanol 0.93
    dipropyl ether 1.3
    1,2-dichlorobenzene 6.86
    ethyl lactate 6.71
    propylene carbonate 21.39
    n-methylformamide 12.31
    2-pentanol 0.42
    n-pentane 0.02
    1-propoxy-2-propanol 6.07
    1-methoxy-2-propyl acetate 13.62
    2-(2-methoxypropoxy) propanol 10.32
    mesitylene 0.96
    ε-caprolactone 20.8
    p-cymene 1.36
    epichlorohydrin 40.55
    1,1,1-trichloroethane 7.27
    2-aminoethanol 1.25
    morpholine-4-carbaldehyde 46.17
    sulfolane 62.87
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 7.2
    n-hexyl acetate 4.84
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 9.17
    sec-butyl acetate 4.23
    tert-butyl acetate 5.7
    decalin 0.1
    glycerin 4.41
    diglyme 21.15
    acrylic acid 10.24
    isopropyl myristate 2.7
    n-butyric acid 6.03
    acetyl acetate 12.92
    di(2-ethylhexyl) phthalate 5.9
    ethyl propionate 6.71
    nitromethane 48.45
    1,2-diethoxyethane 4.79
    benzonitrile 11.96
    trioctyl phosphate 3.25
    1-bromopropane 1.9
    gamma-valerolactone 52.66
    n-decanol 0.75
    triethyl phosphate 6.19
    4-methyl-2-pentanol 0.55
    propionitrile 5.38
    vinylene carbonate 24.99
    1,1,2-trichlorotrifluoroethane 41.81
    DMS 13.12
    cumene 0.8
    2-octanol 0.48
    2-hexanone 5.76
    octyl acetate 3.53
    limonene 1.5
    1,2-dimethoxyethane 13.54
    ethyl orthosilicate 4.52
    tributyl phosphate 4.4
    diacetone alcohol 9.03
    N,N-dimethylaniline 2.96
    acrylonitrile 13.54
    aniline 5.06
    1,3-propanediol 2.73
    bromobenzene 5.45
    dibromomethane 7.72
    1,1,2,2-tetrachloroethane 23.21
    2-methyl-cyclohexyl acetate 7.45
    tetrabutyl urea 7.05
    diisobutyl methanol 0.8
    2-phenylethanol 6.38
    styrene 1.47
    dioctyl adipate 6.29
    dimethyl sulfate 30.09
    ethyl butyrate 6.41
    methyl lactate 11.0
    butyl lactate 5.81
    diethyl carbonate 6.18
    propanediol butyl ether 4.28
    triethyl orthoformate 5.2
    p-tert-butyltoluene 1.07
    methyl 4-tert-butylbenzoate 9.92
    morpholine 10.62
    tert-butylamine 0.27
    n-dodecanol 0.62
    dimethoxymethane 12.4
    ethylene carbonate 18.1
    cyrene 20.05
    2-ethoxyethyl acetate 10.79
    2-ethylhexyl acetate 5.75
    1,2,4-trichlorobenzene 11.03
    4-methylpyridine 14.8
    dibutyl ether 1.12
    2,6-dimethyl-4-heptanol 0.8
    DEF 12.17
    dimethyl isosorbide 22.84
    tetrachloroethylene 14.17
    eugenol 10.96
    triacetin 12.31
    span 80 6.59
    1,4-butanediol 1.21
    1,1-dichloroethane 5.88
    2-methyl-1-pentanol 1.03
    methyl formate 15.72
    2-methyl-1-butanol 0.84
    n-decane 0.06
    butyronitrile 3.81
    3,7-dimethyl-1-octanol 1.17
    1-chlorooctane 0.48
    1-chlorotetradecane 0.31
    n-nonane 0.04
    undecane 0.05
    tert-butylcyclohexane 0.06
    cyclooctane 0.04
    cyclopentanol 2.29
    tetrahydropyran 4.2
    tert-amyl methyl ether 0.97
    2,5,8-trioxanonane 17.56
    1-hexene 0.16
    2-isopropoxyethanol 4.18
    2,2,2-trifluoroethanol 10.38
    methyl butyrate 8.84

    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