Cytochalasin E

Overview IFRA Request a quote

  • Identifiers

    CAS number
    36011-19-5

    Molecular formula
    C28H33NO7

    SMILES
    C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@]2(C(=O)N[C@H]4CC5=CC=CC=C5)OC(=O)O/C=C/[C@@](C1=O)(C)O)C)C

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 45.16%
    Spicy 30.4%
    Sweet 26.21%
    Nutty 26.04%
    Caramellic 21.56%
    Roasted 21.27%
    Burnt 20.98%
    Vanilla 19.74%
    Woody 19.12%
    Coconut 17.65%

     

    Flavor
    Bitter 85.18%
    Cedarleaf 21.01%
    Lovage 19.95%
    Naphthalic 19.46%
    Sweet-like 19.42%
    Fenugreek 19.19%
    Minty 19.04%
    Leaves 19.01%
    Ripe apricot 18.96%
    Parsley 18.76%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.38 (weak base)

    Molecular weight
    495.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    1547°C

    Melting point expt.

    • 206-208 °C WITH DECOMP

    Flash point

    • 150.17 ˚C est.

    Solubility expt.

    • SOL IN DICHLOROMETHANE, CHLOROFORM, ACETONE, & METHANOL; SPARINGLY SOL IN WATER

  • Synonyms

    • cytochalasin e
    • 36011-19-5
    • DTXSID60894866
    • (1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione
    • (1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo(11.8.0.01,18.014,16)henicosa-5,11-diene-3,8,21-trione
    • RefChem:130330
    • DTXCID701324428
    • 15-benzyl-6,12-dihydroxy-6,13,14-trimethyl-2H,6H,7H,8H,9H,12H,13H,14H,14aH,15H,16H,17H,17bH-1,3-dioxacyclotrideca(5,4-e)isoindole-2,7,17-trione
    • 252-835-7
    • MFCD00005178
    • Cytochalasin E from Aspergillus clavatus
    • NSC175151
    • C28H33NO7
    • HSDB 3548
    • NSC-175151
    • 21,23-Dioxa(13)cytochalasa-13,19-diene-1,17,22-trione, 6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E)-
    • EINECS 252-835-7
    • NSC 175151
    • SCHEMBL33617
    • CHEMBL494856
    • orb1989315
    • CHEBI:68201
    • LAJXCUNOQSHRJO-ZYGJITOWSA-N
    • HY-N6772
    • Cytochalasin E, Aspergillus clavatus
    • CCG-39859
    • AKOS040741587
    • NCGC00380287-01
    • 6,7-Epoxy-10-phenyl-5,6,16,18-tetramethyl-21,23-dioxa-(13)cytochalas-13,19-diene-17,22-dione
    • CS-0093424
    • G12049
    • Q5201338
    • (1E,4S,6R,7E,11aS,14S,14aS,15S,15aR,16aS,16bS)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro-10H-[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione
    • 21,19-diene-1,17,22-trione, 6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E)-
    • 36011-19-5

  • Applications

    Cytochalasin E (CAS 36011-19-5) is primarily used as a biochemical research tool to investigate actin polymerization and cellular dynamics; in the lab it is employed in assays and imaging workflows to study cell migration, cytoskeletal organization, and endocytosis by inhibiting actin assembly; it is commonly used as a cytoskeletal inhibitor in experimental workflows and as a reference compound in medicinal chemistry exploring actin-targeting mechanisms; use is limited to laboratory research and educational settings, and handling is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.39
    methanol 32.77
    isopropanol 9.67
    water 0.05
    ethyl acetate 35.47
    n-propanol 18.16
    acetone 45.31
    n-butanol 13.61
    acetonitrile 24.63
    DMF 124.6
    toluene 6.89
    isobutanol 9.36
    1,4-dioxane 40.48
    methyl acetate 43.61
    THF 96.24
    2-butanone 49.06
    n-pentanol 9.71
    sec-butanol 8.75
    n-hexane 0.22
    ethylene glycol 8.93
    NMP 172.23
    cyclohexane 0.32
    DMSO 82.12
    n-butyl acetate 13.25
    n-octanol 3.02
    chloroform 92.65
    n-propyl acetate 17.68
    acetic acid 140.78
    dichloromethane 76.49
    cyclohexanone 59.39
    propylene glycol 11.39
    isopropyl acetate 17.39
    DMAc 163.09
    2-ethoxyethanol 39.71
    isopentanol 8.69
    n-heptane 0.21
    ethyl formate 24.56
    1,2-dichloroethane 34.88
    n-hexanol 7.18
    2-methoxyethanol 74.17
    isobutyl acetate 9.6
    tetrachloromethane 6.15
    n-pentyl acetate 11.64
    transcutol 40.46
    n-heptanol 5.03
    ethylbenzene 2.87
    MIBK 13.2
    2-propoxyethanol 47.04
    tert-butanol 6.74
    MTBE 5.96
    2-butoxyethanol 25.58
    propionic acid 44.43
    o-xylene 3.52
    formic acid 65.05
    diethyl ether 10.84
    m-xylene 3.61
    p-xylene 3.94
    chlorobenzene 14.01
    dimethyl carbonate 41.27
    n-octane 0.1
    formamide 74.21
    cyclopentanone 101.36
    2-pentanone 31.62
    anisole 11.33
    cyclopentyl methyl ether 18.97
    gamma-butyrolactone 128.99
    1-methoxy-2-propanol 48.33
    pyridine 55.64
    3-pentanone 25.89
    furfural 86.76
    n-dodecane 0.11
    diethylene glycol 38.06
    diisopropyl ether 2.02
    tert-amyl alcohol 6.94
    acetylacetone 45.62
    n-hexadecane 0.13
    acetophenone 18.87
    methyl propionate 45.03
    isopentyl acetate 11.32
    trichloroethylene 107.35
    n-nonanol 3.54
    cyclohexanol 9.14
    benzyl alcohol 16.79
    2-ethylhexanol 3.64
    isooctanol 3.76
    dipropyl ether 5.41
    1,2-dichlorobenzene 13.44
    ethyl lactate 16.11
    propylene carbonate 48.08
    n-methylformamide 75.89
    2-pentanol 6.2
    n-pentane 0.24
    1-propoxy-2-propanol 22.8
    1-methoxy-2-propyl acetate 26.4
    2-(2-methoxypropoxy) propanol 18.24
    mesitylene 1.59
    ε-caprolactone 63.94
    p-cymene 1.86
    epichlorohydrin 114.51
    1,1,1-trichloroethane 25.35
    2-aminoethanol 18.54
    morpholine-4-carbaldehyde 119.14
    sulfolane 132.9
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 34.37
    n-hexyl acetate 12.19
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 22.41
    sec-butyl acetate 10.25
    tert-butyl acetate 12.87
    decalin 0.27
    glycerin 27.8
    diglyme 42.66
    acrylic acid 62.16
    isopropyl myristate 3.5
    n-butyric acid 49.42
    acetyl acetate 31.76
    di(2-ethylhexyl) phthalate 7.98
    ethyl propionate 17.6
    nitromethane 170.65
    1,2-diethoxyethane 11.02
    benzonitrile 16.71
    trioctyl phosphate 4.56
    1-bromopropane 11.23
    gamma-valerolactone 175.21
    n-decanol 2.25
    triethyl phosphate 7.43
    4-methyl-2-pentanol 3.63
    propionitrile 22.0
    vinylene carbonate 58.66
    1,1,2-trichlorotrifluoroethane 110.98
    DMS 19.64
    cumene 1.86
    2-octanol 2.3
    2-hexanone 18.08
    octyl acetate 6.1
    limonene 2.42
    1,2-dimethoxyethane 40.94
    ethyl orthosilicate 6.37
    tributyl phosphate 5.05
    diacetone alcohol 24.73
    N,N-dimethylaniline 7.15
    acrylonitrile 40.02
    aniline 16.64
    1,3-propanediol 27.69
    bromobenzene 12.93
    dibromomethane 35.33
    1,1,2,2-tetrachloroethane 63.37
    2-methyl-cyclohexyl acetate 10.73
    tetrabutyl urea 8.04
    diisobutyl methanol 1.86
    2-phenylethanol 15.52
    styrene 3.97
    dioctyl adipate 8.02
    dimethyl sulfate 68.49
    ethyl butyrate 10.82
    methyl lactate 40.03
    butyl lactate 13.64
    diethyl carbonate 8.81
    propanediol butyl ether 15.95
    triethyl orthoformate 8.33
    p-tert-butyltoluene 1.59
    methyl 4-tert-butylbenzoate 15.68
    morpholine 59.09
    tert-butylamine 2.18
    n-dodecanol 1.47
    dimethoxymethane 66.65
    ethylene carbonate 41.96
    cyrene 34.4
    2-ethoxyethyl acetate 24.38
    2-ethylhexyl acetate 8.87
    1,2,4-trichlorobenzene 22.06
    4-methylpyridine 37.42
    dibutyl ether 2.81
    2,6-dimethyl-4-heptanol 1.86
    DEF 41.8
    dimethyl isosorbide 32.23
    tetrachloroethylene 38.84
    eugenol 19.23
    triacetin 20.07
    span 80 14.72
    1,4-butanediol 11.19
    1,1-dichloroethane 28.58
    2-methyl-1-pentanol 7.52
    methyl formate 51.05
    2-methyl-1-butanol 9.24
    n-decane 0.19
    butyronitrile 16.48
    3,7-dimethyl-1-octanol 2.81
    1-chlorooctane 1.34
    1-chlorotetradecane 0.51
    n-nonane 0.14
    undecane 0.14
    tert-butylcyclohexane 0.2
    cyclooctane 0.14
    cyclopentanol 16.38
    tetrahydropyran 23.68
    tert-amyl methyl ether 6.1
    2,5,8-trioxanonane 26.97
    1-hexene 1.47
    2-isopropoxyethanol 22.4
    2,2,2-trifluoroethanol 43.8
    methyl butyrate 22.15

    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