Fusarin C

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  • Identifiers

    CAS number
    79748-81-5

    Molecular formula
    C23H29NO7

    SMILES
    C/C=C(\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)[C@@]12[C@@H](O1)[C@](NC2=O)(CCO)O)/C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 37.85%
    Fruity 29.39%
    Odorless 27.65%
    Citrus 27.18%
    Mint 26.69%
    Spicy 26.34%
    Herbal 25.54%
    Woody 24.77%
    Fresh 24.55%
    Floral 23.68%

     

    Flavor
    Bitter 69.56%
    Odorless 23.84%
    Oriental 19.71%
    Heather 19.67%
    Cedarleaf 19.57%
    Broom 19.54%
    Basil 19.4%
    Genet 19.29%
    Nitrile 19.15%
    Lovage 18.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    5.48 (weak acid)

    Molecular weight
    431.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1073°C

    Flash point

    • 228.8 ˚C est.

    Solubility expt.

    • Soluble in ethanol and methanol.

  • Synonyms

    • FUSARIN C
    • 79748-81-5
    • C3F3Z00LM3
    • DTXSID501020204
    • METHYL (2E,3E,5E,7E,9E)-2-ETHYLIDENE-11-[(1R,4S,5R)-4-HYDROXY-4-(2-HYDROXYETHYL)-2-OXO-6-OXA-3-AZABICYCLO[3.1.0]HEXAN-1-YL]-4,6,10-TRIMETHYL-11-OXOUNDECA-3,5,7,9-TETRAENOATE
    • 2-ethylidene-11-(4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo(3.1.0)hex-1-yl)-4,6,10-trimethyl-11-oxo-3,5,7,9-undecatetraenoic acid methyl ester
    • 3,5,7,9-UNDECATETRAENOIC ACID, 2-ETHYLIDENE-11-((1R,4S,5R)-4-HYDROXY-4-(2-HYDROXYETHYL)-2-OXO-6-OXA-3-AZABICYCLO(3.1.0)HEX-1-YL)-4,6,10-TRIMETHYL-11-OXO-, METHYL ESTER, (2E,3E,5E,7E,9E)-
    • methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-((1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo(3.1.0)hexan-1-yl)-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate
    • RefChem:141917
    • DTXCID501478059
    • CCRIS 4320
    • HSDB 7078
    • UNII-C3F3Z00LM3
    • fusarinC
    • orb3023223
    • SCHEMBL29403573
    • CHEBI:82329
    • HY-N14473
    • 3,5,7,9-Undecatetraenoic acid, 2-ethylidene-11-(4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo(3.1.0)hex-1-yl)-4,6,10-trimethyl-11-oxo-, methyl ester, (1R-(1-alpha(2E,3E,5E,7E,9E),4-alpha,5-alpha))-
    • C19243
    • Q27155879
    • 3,5,7,9-UNDECATETRAENOIC ACID, 2-ETHYLIDENE-11-(4-HYDROXY-4-(2-HYDROXYETHYL)-2-OXO-6-OXA-3-AZABICYCLO(3.1.0)HEX-1-YL)-4,6,10-TRIMETHYL-11-OXO-, METHYL ESTER, (1R-(1.ALPHA.(2E,3E,5E,7E,9E),4.ALPHA.,5.ALPHA.))-
    • 79748-81-5

  • Applications

    Fusarin C, CAS 79748-81-5, is a polyketide natural product produced by certain Fusarium species and is primarily used in research and development as a reference material for analytical testing of mycotoxins, supporting toxicology assessment and biosynthesis studies; it serves as a scaffold or precursor for synthesizing related derivatives; it is employed in molecular biology research to explore mechanisms of action of related compounds; and it acts as a calibration standard for LC-MS and GC methods in laboratory analyses of mycotoxins.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.09
    methanol 18.52
    isopropanol 7.98
    water 0.02
    ethyl acetate 9.9
    n-propanol 13.71
    acetone 27.3
    n-butanol 11.44
    acetonitrile 12.58
    DMF 41.18
    toluene 2.33
    isobutanol 7.99
    1,4-dioxane 19.53
    methyl acetate 13.52
    THF 60.87
    2-butanone 30.18
    n-pentanol 11.18
    sec-butanol 10.37
    n-hexane 0.17
    ethylene glycol 3.23
    NMP 72.91
    cyclohexane 0.24
    DMSO 75.58
    n-butyl acetate 5.4
    n-octanol 3.21
    chloroform 27.72
    n-propyl acetate 8.45
    acetic acid 37.97
    dichloromethane 24.81
    cyclohexanone 39.02
    propylene glycol 6.28
    isopropyl acetate 5.66
    DMAc 85.4
    2-ethoxyethanol 29.81
    isopentanol 8.33
    n-heptane 0.1
    ethyl formate 9.85
    1,2-dichloroethane 14.73
    n-hexanol 6.39
    2-methoxyethanol 36.08
    isobutyl acetate 5.37
    tetrachloromethane 1.95
    n-pentyl acetate 6.32
    transcutol 17.24
    n-heptanol 4.7
    ethylbenzene 1.61
    MIBK 8.03
    2-propoxyethanol 26.8
    tert-butanol 7.18
    MTBE 4.55
    2-butoxyethanol 17.2
    propionic acid 13.87
    o-xylene 1.39
    formic acid 20.52
    diethyl ether 5.39
    m-xylene 1.13
    p-xylene 2.14
    chlorobenzene 4.47
    dimethyl carbonate 7.88
    n-octane 0.07
    formamide 24.1
    cyclopentanone 50.32
    2-pentanone 16.7
    anisole 6.31
    cyclopentyl methyl ether 8.66
    gamma-butyrolactone 44.52
    1-methoxy-2-propanol 22.9
    pyridine 23.88
    3-pentanone 12.8
    furfural 31.53
    n-dodecane 0.08
    diethylene glycol 18.49
    diisopropyl ether 0.83
    tert-amyl alcohol 8.71
    acetylacetone 17.11
    n-hexadecane 0.09
    acetophenone 11.24
    methyl propionate 12.12
    isopentyl acetate 5.75
    trichloroethylene 33.17
    n-nonanol 3.57
    cyclohexanol 7.6
    benzyl alcohol 10.66
    2-ethylhexanol 3.02
    isooctanol 3.67
    dipropyl ether 2.46
    1,2-dichlorobenzene 4.15
    ethyl lactate 8.77
    propylene carbonate 15.48
    n-methylformamide 21.51
    2-pentanol 4.8
    n-pentane 0.15
    1-propoxy-2-propanol 12.55
    1-methoxy-2-propyl acetate 9.45
    2-(2-methoxypropoxy) propanol 13.05
    mesitylene 0.52
    ε-caprolactone 27.26
    p-cymene 0.91
    epichlorohydrin 48.57
    1,1,1-trichloroethane 7.66
    2-aminoethanol 8.98
    morpholine-4-carbaldehyde 43.85
    sulfolane 62.78
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 22.16
    n-hexyl acetate 7.42
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 14.85
    sec-butyl acetate 5.32
    tert-butyl acetate 5.64
    decalin 0.19
    glycerin 12.28
    diglyme 25.44
    acrylic acid 15.55
    isopropyl myristate 2.27
    n-butyric acid 16.66
    acetyl acetate 6.53
    di(2-ethylhexyl) phthalate 5.35
    ethyl propionate 7.5
    nitromethane 44.69
    1,2-diethoxyethane 6.19
    benzonitrile 9.15
    trioctyl phosphate 3.29
    1-bromopropane 5.85
    gamma-valerolactone 64.87
    n-decanol 2.27
    triethyl phosphate 3.81
    4-methyl-2-pentanol 2.8
    propionitrile 12.13
    vinylene carbonate 15.58
    1,1,2-trichlorotrifluoroethane 41.58
    DMS 6.31
    cumene 1.1
    2-octanol 2.42
    2-hexanone 14.99
    octyl acetate 3.89
    limonene 1.31
    1,2-dimethoxyethane 30.77
    ethyl orthosilicate 3.41
    tributyl phosphate 3.37
    diacetone alcohol 14.3
    N,N-dimethylaniline 4.44
    acrylonitrile 16.39
    aniline 6.5
    1,3-propanediol 14.97
    bromobenzene 3.54
    dibromomethane 13.19
    1,1,2,2-tetrachloroethane 24.92
    2-methyl-cyclohexyl acetate 6.56
    tetrabutyl urea 5.87
    diisobutyl methanol 1.25
    2-phenylethanol 9.09
    styrene 1.85
    dioctyl adipate 5.15
    dimethyl sulfate 16.22
    ethyl butyrate 4.92
    methyl lactate 12.58
    butyl lactate 7.19
    diethyl carbonate 3.63
    propanediol butyl ether 10.77
    triethyl orthoformate 4.22
    p-tert-butyltoluene 0.73
    methyl 4-tert-butylbenzoate 9.22
    morpholine 33.29
    tert-butylamine 2.35
    n-dodecanol 1.44
    dimethoxymethane 21.6
    ethylene carbonate 11.41
    cyrene 25.38
    2-ethoxyethyl acetate 10.05
    2-ethylhexyl acetate 4.37
    1,2,4-trichlorobenzene 6.96
    4-methylpyridine 16.19
    dibutyl ether 2.02
    2,6-dimethyl-4-heptanol 1.25
    DEF 19.8
    dimethyl isosorbide 18.88
    tetrachloroethylene 13.72
    eugenol 12.27
    triacetin 8.93
    span 80 9.82
    1,4-butanediol 9.0
    1,1-dichloroethane 9.51
    2-methyl-1-pentanol 9.39
    methyl formate 14.42
    2-methyl-1-butanol 9.48
    n-decane 0.15
    butyronitrile 11.3
    3,7-dimethyl-1-octanol 2.6
    1-chlorooctane 1.13
    1-chlorotetradecane 0.4
    n-nonane 0.11
    undecane 0.11
    tert-butylcyclohexane 0.14
    cyclooctane 0.07
    cyclopentanol 12.66
    tetrahydropyran 14.9
    tert-amyl methyl ether 4.69
    2,5,8-trioxanonane 18.22
    1-hexene 1.18
    2-isopropoxyethanol 17.98
    2,2,2-trifluoroethanol 10.99
    methyl butyrate 11.18

    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