Aflatoxin G2

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  • Identifiers

    CAS number
    7241-98-7

    Molecular formula
    C17H14O7

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 50.29%
    Coumarinic 44.82%
    Coconut 41.46%
    Spicy 37.45%
    Lactonic 32.63%
    Vanilla 31.39%
    Creamy 30.6%
    Odorless 28.98%
    Herbal 28.78%
    Hay 27.08%

     

    Flavor
    Bitter 93.54%
    Bland 21.85%
    Cedarleaf 19.11%
    Sweet-like 19.01%
    Parsley 18.55%
    Lovage 18.36%
    Ripe apricot 17.78%
    Red fruit 17.44%
    Cereal 17.44%
    Naphthalic 17.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.0 (weak acid)

    Molecular weight
    330.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1019°C

    Melting point expt.

    • 459 to 464 °F (NTP, 1992)
    • 238.5 °C

    Flash point

    • 235.78 ˚C est.

    Solubility expt.

    • Slighty soluble (NTP, 1992)

  • Synonyms

    • AFLATOXIN G2
    • 7241-98-7
    • 2MS0D8WA29
    • CCRIS 4936
    • DTXSID80891796
    • (3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dione
    • (7AR,cis)3,4,7a,9,10,10a-hexahydro-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,9,10,10a-hexahydro-5-methoxy-, (7aR,10aS)-
    • 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a-alpha,9,10,10a-alpha-hexahydro-5-methoxy-
    • (3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo(10.8.0.02,9.03,7.013,18)icosa-1,9,11,13(18)-tetraene-17,19-dione
    • RefChem:110034
    • DTXCID301031033
    • 11-methoxy-6,8,16,20-tetraoxapentacyclo(10.8.0.0^(2,9).0^(3,7).0^(13,18))icosa-1,9,11,13(18)-tetraene-17,19-dione
    • 1H,12H-FURO(3',2':4,5)FURO(2,3-H)PYRANO(3,4-C)(1)BENZOPYRAN-1,12-DIONE, 3,4,7AALPHA,9,10,10AALPHA-HEXAHYDRO-5-METHOXY-
    • 230-643-4
    • 3-(4-((3-chlorophenyl)methoxy)phenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
    • Dihydroaflatoxin G1
    • MFCD00078141
    • Aflatoxin G2 0.5 microg/mL in Acetonitrile
    • (7aR-cis)-3,4,7a,9,10,10a-hexahydro-5-methoxy-1H,12H-Furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione
    • UNII-2MS0D8WA29
    • HSDB 3456
    • WPCVRWVBBXIRMA-WNWIJWBNSA-N
    • EINECS 230-643-4
    • AFLATOXIN G2 [MI]
    • AFLATOXIN G2 [HSDB]
    • Aflatoxin G2 in Acetonitrile
    • SCHEMBL29373168
    • CHEBI:80705
    • Aflatoxin G2, reference material
    • MSK7208
    • EX-A4123
    • HY-N6698
    • MSK7208-100A
    • FA17235
    • (7aR,10aS)-3,4,7a,9,10,10a-Hexahydro-5-methoxy-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione
    • 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione,3,4,7aalpha,9,10,10aalpha-hexahydro-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,9,10,10a-hexahydro-5-
    • 3,4,7aalpha,9,10,10aalpha-Hexahydro-5-methoxy-1H,12H-furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)-benzopyran-1,12-dione
    • DA-70628
    • Aflatoxin G2 3.8microg/g in Acetonitrile
    • CS-0099736
    • ST50405314
    • C16754
    • G12272
    • Aflatoxin G2 solution in Acetonitrile, 100ug/mL
    • Q26841280
    • (12aS,9aR)-7-methoxy-5,12a,9a-trihydro-6H,11H,12H-pyrano[3'',4''-4',3']chromen o[8',7'-4,5]furano[2,3-b]oxolane-2,3-dione
    • (7aR,10aS)-5-methoxy-3,4,10,10a-tetrahydrofuro[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12(7aH,9H)-dione
    • (7aR,10aS)-5-Methoxy-3,4,7a,9,10,10a-hexahydro-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione
    • (7aR,10aS)-5-Methoxy-3,4,7a,9,10,10a-hexahydro-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione
    • (7AR,CIS)3,4,7A,9,10,10A-HEXAHYDRO-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,9,10,10A-HEXAHYDRO-5-METHOXY-, (7AR,10AS)-
    • 7241-98-7

  • Applications

    Aflatoxin G2 (CAS 7241-98-7) is primarily encountered as a target analyte in analytical testing and toxicology research rather than as a formulation ingredient. It is used as a reference standard and calibrant for LC-MS/MS and other chromatographic methods to detect and quantify aflatoxins in foods and feeds such as corn, peanuts, and nuts; used in immunoassay calibration (ELISA) for screening aflatoxin contamination; employed in toxicology and metabolism studies to understand the compound's fate in biological systems; used in proficiency testing and quality-control programs within food-safety laboratories and regulatory monitoring; and used in method development and environmental/agricultural monitoring studies of mycotoxin contamination.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.94
    methanol 1.54
    isopropanol 0.81
    water 0.01
    ethyl acetate 12.74
    n-propanol 0.93
    acetone 18.18
    n-butanol 1.2
    acetonitrile 11.6
    DMF 33.75
    toluene 2.97
    isobutanol 1.03
    1,4-dioxane 14.31
    methyl acetate 16.03
    THF 23.24
    2-butanone 13.82
    n-pentanol 1.01
    sec-butanol 0.81
    n-hexane 0.02
    ethylene glycol 1.87
    NMP 85.78
    cyclohexane 0.1
    DMSO 54.36
    n-butyl acetate 9.34
    n-octanol 0.93
    chloroform 28.8
    n-propyl acetate 9.33
    acetic acid 20.8
    dichloromethane 33.51
    cyclohexanone 32.94
    propylene glycol 1.12
    isopropyl acetate 8.26
    DMAc 65.05
    2-ethoxyethanol 8.04
    isopentanol 1.89
    n-heptane 0.04
    ethyl formate 11.87
    1,2-dichloroethane 19.4
    n-hexanol 1.12
    2-methoxyethanol 15.17
    isobutyl acetate 7.09
    tetrachloromethane 2.07
    n-pentyl acetate 6.74
    transcutol 22.56
    n-heptanol 1.12
    ethylbenzene 1.27
    MIBK 7.01
    2-propoxyethanol 13.27
    tert-butanol 1.27
    MTBE 0.91
    2-butoxyethanol 8.82
    propionic acid 8.38
    o-xylene 2.06
    formic acid 11.95
    diethyl ether 1.17
    m-xylene 2.15
    p-xylene 2.39
    chlorobenzene 9.26
    dimethyl carbonate 17.58
    n-octane 0.02
    formamide 20.65
    cyclopentanone 42.25
    2-pentanone 9.81
    anisole 4.89
    cyclopentyl methyl ether 5.6
    gamma-butyrolactone 61.73
    1-methoxy-2-propanol 9.14
    pyridine 23.43
    3-pentanone 8.31
    furfural 66.56
    n-dodecane 0.05
    diethylene glycol 18.62
    diisopropyl ether 0.47
    tert-amyl alcohol 1.2
    acetylacetone 28.24
    n-hexadecane 0.06
    acetophenone 13.5
    methyl propionate 13.48
    isopentyl acetate 10.02
    trichloroethylene 61.89
    n-nonanol 1.16
    cyclohexanol 2.72
    benzyl alcohol 8.45
    2-ethylhexanol 1.55
    isooctanol 1.31
    dipropyl ether 1.32
    1,2-dichlorobenzene 10.27
    ethyl lactate 9.46
    propylene carbonate 35.25
    n-methylformamide 16.61
    2-pentanol 0.68
    n-pentane 0.02
    1-propoxy-2-propanol 8.21
    1-methoxy-2-propyl acetate 17.95
    2-(2-methoxypropoxy) propanol 14.01
    mesitylene 1.21
    ε-caprolactone 28.64
    p-cymene 1.72
    epichlorohydrin 57.38
    1,1,1-trichloroethane 12.16
    2-aminoethanol 1.94
    morpholine-4-carbaldehyde 60.82
    sulfolane 85.04
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 9.42
    n-hexyl acetate 6.6
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 12.7
    sec-butyl acetate 5.79
    tert-butyl acetate 7.92
    decalin 0.11
    glycerin 7.33
    diglyme 27.77
    acrylic acid 15.65
    isopropyl myristate 3.32
    n-butyric acid 10.71
    acetyl acetate 18.0
    di(2-ethylhexyl) phthalate 8.12
    ethyl propionate 8.3
    nitromethane 67.17
    1,2-diethoxyethane 5.55
    benzonitrile 16.89
    trioctyl phosphate 4.46
    1-bromopropane 2.75
    gamma-valerolactone 72.55
    n-decanol 0.94
    triethyl phosphate 8.17
    4-methyl-2-pentanol 0.87
    propionitrile 7.0
    vinylene carbonate 39.14
    1,1,2-trichlorotrifluoroethane 60.03
    DMS 17.09
    cumene 1.03
    2-octanol 0.66
    2-hexanone 7.4
    octyl acetate 4.48
    limonene 1.85
    1,2-dimethoxyethane 16.15
    ethyl orthosilicate 6.03
    tributyl phosphate 6.02
    diacetone alcohol 13.33
    N,N-dimethylaniline 3.56
    acrylonitrile 17.71
    aniline 7.22
    1,3-propanediol 4.54
    bromobenzene 8.13
    dibromomethane 12.7
    1,1,2,2-tetrachloroethane 35.91
    2-methyl-cyclohexyl acetate 9.89
    tetrabutyl urea 9.15
    diisobutyl methanol 1.1
    2-phenylethanol 9.28
    styrene 1.77
    dioctyl adipate 8.04
    dimethyl sulfate 39.45
    ethyl butyrate 8.09
    methyl lactate 15.7
    butyl lactate 8.37
    diethyl carbonate 7.95
    propanediol butyl ether 6.33
    triethyl orthoformate 6.65
    p-tert-butyltoluene 1.36
    methyl 4-tert-butylbenzoate 13.68
    morpholine 13.61
    tert-butylamine 0.39
    n-dodecanol 0.76
    dimethoxymethane 15.89
    ethylene carbonate 29.01
    cyrene 27.16
    2-ethoxyethyl acetate 14.82
    2-ethylhexyl acetate 7.87
    1,2,4-trichlorobenzene 16.38
    4-methylpyridine 20.19
    dibutyl ether 1.18
    2,6-dimethyl-4-heptanol 1.1
    DEF 16.19
    dimethyl isosorbide 29.7
    tetrachloroethylene 21.48
    eugenol 14.89
    triacetin 16.8
    span 80 9.09
    1,4-butanediol 1.95
    1,1-dichloroethane 9.95
    2-methyl-1-pentanol 1.64
    methyl formate 20.77
    2-methyl-1-butanol 1.47
    n-decane 0.06
    butyronitrile 5.69
    3,7-dimethyl-1-octanol 1.61
    1-chlorooctane 0.55
    1-chlorotetradecane 0.36
    n-nonane 0.04
    undecane 0.05
    tert-butylcyclohexane 0.07
    cyclooctane 0.04
    cyclopentanol 3.6
    tetrahydropyran 5.26
    tert-amyl methyl ether 1.2
    2,5,8-trioxanonane 22.88
    1-hexene 0.19
    2-isopropoxyethanol 6.05
    2,2,2-trifluoroethanol 18.36
    methyl butyrate 11.49

    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