Cytochalasin A

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  • Identifiers

    CAS number
    14110-64-6

    Molecular formula
    C29H35NO5

    SMILES
    C[C@@H]1CCCC(=O)/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Spicy 39.95%
    Odorless 31.67%
    Nutty 28.35%
    Sweet 24.81%
    Green 24.79%
    Woody 21.98%
    Caramellic 21.7%
    Herbal 20.89%
    Coumarinic 20.88%
    Coconut 20.59%

     

    Flavor
    Bitter 76.86%
    Herbal 23.34%
    Minty 21.19%
    Spice 21.15%
    Lovage 21.03%
    Cedarleaf 20.7%
    Basil 19.95%
    Leaves 19.27%
    Nitrile 19.04%
    Fenugreek 18.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.0 (weak base)

    Molecular weight
    477.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1820°C

    Flash point

    • 177.44 ˚C est.

  • Synonyms

    • cytochalasin a
    • Dehydrophomin
    • 14110-64-6
    • 5,5-Didehydrophomin
    • 5-Dehydrophomin
    • Phomin, 5,5-didehydro-
    • BV8WQ9500E
    • DTXSID401017587
    • NSC-174119
    • 24-Oxa(14)cytochalasa-6(12),13,21-triene-1,20,23-trione, 7-hydroxy-16-methyl-10-phenyl-, (7S,13E,16R,21E)-
    • 2H-Oxacyclotetradecino(2,3-d)isoindole-2,5,18-trione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-
    • 2H-Oxacyclotetradecino(2,3-d)isoindole-2,5,18-trione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (9R-(3E,9R*,11E,12aS*,13S*,15S*,15aS*,16S*,18aS*))-
    • 2H-Oxacyclotetradecino(2,3-d)isoindole-2,5,18-trione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (3E,9R,11E,12aS,13S,15S,15aS,16S,18aS)-
    • (1S,4E,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-15-hydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,6,21-trione
    • (1S,4E,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-15-hydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo(12.7.0.01,18)henicosa-4,12-diene-3,6,21-trione
    • RefChem:130321
    • DTXCID401475771
    • 16-benzyl-5-hydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,13H,14H,15H,15aH,16H,17H,18H,18bH-oxacyclotetradeca(3,2-e)isoindole-2,13,18-trione
    • 237-964-9
    • NSC174119
    • Cytochalasin A from Drechslera dematioidea
    • C29H35NO5
    • MFCD00005935
    • EINECS 237-964-9
    • NSC 174119
    • Spectrum5_001741
    • UNII-BV8WQ9500E
    • SCHEMBL30052281
    • CHEBI:144392
    • ZMAODHOXRBLOQO-TZVKRXPSSA-N
    • 7(S)-Hydroxy-16(R)-methyl-10-phenyl-24-oxa(14)cytochalasa-6(12),13(E),21(E)-triene-1,20,23-trione
    • HY-N6773
    • CCG-39699
    • LMPK11000001
    • AKOS030213126
    • NCGC00388356-01
    • (7S,13E,16R,21E)-7-Hydroxy-16-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13,21-triene-1,20,23-trione
    • benzyl-hydroxy-dimethyl-methylene-[?]trione
    • CS-0091953
    • C19953
    • Cytochalasin A from Helminthosporium dematioideum
    • (1S,4E,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-15-hydroxy-10,17-dimethyl-16-methylene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,6,21-trione
    • (3E,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-Benzyl-13-hydroxy-9,15-dimethyl-14-methylidene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione
    • 16-Benzyl-13-hydroxy-9,15-dimethyl-14-methylene-8,9,10,12a,13,14,15,15a,16,17-decahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,6,18(5H,7H)-trione
    • 2H-Oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione,6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-13-hydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-,(3E,9R,11E,12aS,13S,15S,15aS,16S,18aS)-
    • 5,5-Didehydrophomin; (7S)-Hydroxy-(16R)-methyl-10-phenyl-24-oxa(14)cytochalasa-6(12),13(E),21(E)-triene-1,20,23-trione
    • 14110-64-6

  • Applications

    Cytochalasin A is primarily used as a biochemical tool in life sciences research, notably as an actin polymerization inhibitor to probe cytoskeletal dynamics and cell motility. It is commonly applied in cell biology and pharmacology research, in assay development for actin-related processes, and in structure–activity studies of actin-targeting compounds, with most work conducted in academic and biotech laboratory settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 121.88
    methanol 167.41
    isopropanol 86.13
    water 0.12
    ethyl acetate 160.75
    n-propanol 132.25
    acetone 167.33
    n-butanol 126.6
    acetonitrile 43.7
    DMF 322.38
    toluene 67.68
    isobutanol 83.8
    1,4-dioxane 166.26
    methyl acetate 130.38
    THF 471.16
    2-butanone 195.59
    n-pentanol 79.61
    sec-butanol 91.84
    n-hexane 2.16
    ethylene glycol 21.76
    NMP 370.49
    cyclohexane 3.49
    DMSO 229.48
    n-butyl acetate 67.88
    n-octanol 22.76
    chloroform 256.63
    n-propyl acetate 68.56
    acetic acid 327.42
    dichloromethane 196.85
    cyclohexanone 262.4
    propylene glycol 39.76
    isopropyl acetate 104.79
    DMAc 468.4
    2-ethoxyethanol 148.65
    isopentanol 86.32
    n-heptane 1.67
    ethyl formate 88.69
    1,2-dichloroethane 129.35
    n-hexanol 60.33
    2-methoxyethanol 268.06
    isobutyl acetate 41.78
    tetrachloromethane 25.16
    n-pentyl acetate 66.31
    transcutol 268.19
    n-heptanol 32.36
    ethylbenzene 24.6
    MIBK 85.0
    2-propoxyethanol 172.87
    tert-butanol 54.78
    MTBE 45.14
    2-butoxyethanol 102.82
    propionic acid 135.74
    o-xylene 34.75
    formic acid 116.57
    diethyl ether 77.68
    m-xylene 36.72
    p-xylene 25.98
    chlorobenzene 72.0
    dimethyl carbonate 114.56
    n-octane 0.92
    formamide 127.61
    cyclopentanone 333.42
    2-pentanone 169.58
    anisole 53.13
    cyclopentyl methyl ether 145.82
    gamma-butyrolactone 351.72
    1-methoxy-2-propanol 206.17
    pyridine 179.67
    3-pentanone 124.82
    furfural 234.62
    n-dodecane 0.88
    diethylene glycol 110.33
    diisopropyl ether 16.21
    tert-amyl alcohol 56.22
    acetylacetone 166.69
    n-hexadecane 1.0
    acetophenone 74.11
    methyl propionate 168.51
    isopentyl acetate 62.12
    trichloroethylene 288.49
    n-nonanol 24.3
    cyclohexanol 95.06
    benzyl alcohol 82.15
    2-ethylhexanol 26.4
    isooctanol 25.36
    dipropyl ether 26.58
    1,2-dichlorobenzene 58.65
    ethyl lactate 57.12
    propylene carbonate 173.42
    n-methylformamide 177.96
    2-pentanol 71.87
    n-pentane 3.26
    1-propoxy-2-propanol 99.12
    1-methoxy-2-propyl acetate 115.3
    2-(2-methoxypropoxy) propanol 73.47
    mesitylene 16.45
    ε-caprolactone 245.65
    p-cymene 11.61
    epichlorohydrin 385.22
    1,1,1-trichloroethane 94.12
    2-aminoethanol 62.43
    morpholine-4-carbaldehyde 332.94
    sulfolane 336.24
    2,2,4-trimethylpentane 1.94
    2-methyltetrahydrofuran 192.69
    n-hexyl acetate 72.88
    isooctane 1.27
    2-(2-butoxyethoxy)ethanol 109.65
    sec-butyl acetate 55.04
    tert-butyl acetate 78.47
    decalin 2.69
    glycerin 70.76
    diglyme 171.32
    acrylic acid 135.18
    isopropyl myristate 22.2
    n-butyric acid 230.16
    acetyl acetate 105.91
    di(2-ethylhexyl) phthalate 35.96
    ethyl propionate 67.71
    nitromethane 272.54
    1,2-diethoxyethane 72.11
    benzonitrile 64.53
    trioctyl phosphate 23.17
    1-bromopropane 71.41
    gamma-valerolactone 482.17
    n-decanol 16.01
    triethyl phosphate 29.97
    4-methyl-2-pentanol 36.79
    propionitrile 68.65
    vinylene carbonate 174.27
    1,1,2-trichlorotrifluoroethane 259.8
    DMS 73.8
    cumene 14.37
    2-octanol 19.37
    2-hexanone 78.54
    octyl acetate 34.12
    limonene 16.98
    1,2-dimethoxyethane 142.53
    ethyl orthosilicate 28.07
    tributyl phosphate 27.4
    diacetone alcohol 117.88
    N,N-dimethylaniline 41.35
    acrylonitrile 87.25
    aniline 101.03
    1,3-propanediol 122.99
    bromobenzene 67.8
    dibromomethane 112.46
    1,1,2,2-tetrachloroethane 213.42
    2-methyl-cyclohexyl acetate 46.76
    tetrabutyl urea 39.33
    diisobutyl methanol 14.59
    2-phenylethanol 71.54
    styrene 29.59
    dioctyl adipate 39.24
    dimethyl sulfate 161.43
    ethyl butyrate 47.09
    methyl lactate 125.12
    butyl lactate 63.8
    diethyl carbonate 33.15
    propanediol butyl ether 79.7
    triethyl orthoformate 37.48
    p-tert-butyltoluene 11.16
    methyl 4-tert-butylbenzoate 66.29
    morpholine 253.8
    tert-butylamine 21.25
    n-dodecanol 10.69
    dimethoxymethane 257.34
    ethylene carbonate 143.76
    cyrene 102.42
    2-ethoxyethyl acetate 115.84
    2-ethylhexyl acetate 47.19
    1,2,4-trichlorobenzene 79.94
    4-methylpyridine 170.68
    dibutyl ether 20.21
    2,6-dimethyl-4-heptanol 14.59
    DEF 185.73
    dimethyl isosorbide 117.18
    tetrachloroethylene 131.85
    eugenol 67.74
    triacetin 75.39
    span 80 65.28
    1,4-butanediol 47.65
    1,1-dichloroethane 118.64
    2-methyl-1-pentanol 63.67
    methyl formate 132.29
    2-methyl-1-butanol 94.57
    n-decane 1.55
    butyronitrile 69.85
    3,7-dimethyl-1-octanol 21.85
    1-chlorooctane 10.22
    1-chlorotetradecane 3.84
    n-nonane 1.2
    undecane 1.12
    tert-butylcyclohexane 2.04
    cyclooctane 1.43
    cyclopentanol 113.36
    tetrahydropyran 170.11
    tert-amyl methyl ether 48.47
    2,5,8-trioxanonane 102.46
    1-hexene 14.48
    2-isopropoxyethanol 90.99
    2,2,2-trifluoroethanol 93.5
    methyl butyrate 88.38

    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