Cytochalasin B

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  • Identifiers

    CAS number
    14930-96-2

    Molecular formula
    C29H37NO5

    SMILES
    C[C@@H]1CCC[C@H](/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)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Spicy 39.18%
    Odorless 36.9%
    Nutty 23.38%
    Sweet 22.78%
    Green 21.18%
    Herbal 20.41%
    Woody 20.23%
    Mint 18.59%
    Coconut 18.24%
    Celery 18.03%

     

    Flavor
    Bitter 77.63%
    Herbal 24.52%
    Minty 21.14%
    Cedarleaf 21.14%
    Spice 21.12%
    Lovage 20.76%
    Spicy 19.92%
    Basil 19.89%
    Leaves 19.47%
    Alkaline 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.48 (weak base)

    Molecular weight
    479.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1901°C

    Melting point expt.

    • 218-221 °C

    Flash point

    • 184.51 ˚C est.

  • Synonyms

    • CYTOCHALASIN B
    • Phomin
    • 14930-96-2
    • TAMM
    • 3CHI920QS7
    • CHEBI:23527
    • DTXSID30893482
    • NSC-107658
    • (1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione
    • 24-Oxa(14)cytochalasa-6(12),13,21-triene-1,23-dione, 7,20-dihydroxy-16-methyl-10-phenyl-, (7S,13E,16R,20R,21E)-
    • 2H-Oxacyclotetradecino(2,3-d)isoindole-2,18(5H)-dione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-
    • (1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo(12.7.0.01,18)henicosa-4,12-diene-3,21-dione
    • RefChem:130322
    • DTXCID201323499
    • 16-benzyl-5,13-dihydroxy-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-2,18-dione
    • 239-000-2
    • cytochalasin-B
    • C29H37NO5
    • Cytochalasin B (Phomin)
    • MFCD00077704
    • MLS000028816
    • SMR000058787
    • (3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione
    • (4Z,12Z)-19-Benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione
    • MLS002703001
    • UNII-3CHI920QS7
    • CCRIS 9284
    • NSC107658
    • HSDB 3479
    • 2H-Oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-
    • EINECS 239-000-2
    • ROTHWEILER
    • BRN 1096207
    • Cytochalasin B from Drechslera dematioidea
    • Opera_ID_1877
    • Spectrum5_001780
    • CYTOCHALASIN B [MI]
    • BSPBio_001600
    • MLS001148651
    • CYTOCHALASIN B [HSDB]
    • CHEMBL411729
    • GTPL5334
    • SCHEMBL20063279
    • BCBcMAP01_000011
    • REGID_for_CID_5311281
    • GLXC-23589
    • HMS1361P22
    • HMS1791P22
    • HMS1989P22
    • HMS3402P22
    • BDBM50478403
    • CCG-39777
    • LMPK11000002
    • AKOS025311470
    • FC11288
    • 7,20-Dihydroxy-10-phenyl-5,16-dimethyl-24-oxa-(14)cytochalas-6(12),13,21-trien-23-one
    • IDI1_034070
    • NCGC00163439-01
    • NCGC00163439-02
    • NCGC00163439-04
    • (E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-16-Benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-2H-oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione
    • HY-16928
    • CS-0012975
    • NS00011654
    • C19954
    • Cytochalasin B from Helminthosporium dematioideum
    • Q26998028
    • Cytochalasin B from Drechslera dematioidea, >=98% (HPLC), powder
    • (3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-Benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione
    • 11032-95-4
    • 2H-Oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E)-(5S,9R,12aS,13S,15S,15aS,16aS,18aS)-
    • 2H-OXACYCLOTETRADECINO(2,3-D)ISOINDOLE-2,18(5H)-DIONE, 16-BENZYL-6,7,8,9,10,12A,13,14,15,15A,16,17-DODECAHYDRO-5,13-DIHYDROXY-9,15-DIMETHYL-14-METHYLENE-, (E,E)-(5R,9R,12AS,13S,15S,15AS,16S,18AS)-
    • 2H-Oxacyclotetradecino(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-
    • 2H-OXACYCLOTETRADECINO(2,3-D)ISOINDOLE-2,18(5H)-DIONE, 6,7,8,9,10,12A,13,14,15,15A,16,17-DODECAHYDRO-5,13-DIHYDROXY-9,15-DIMETHYL-14-METHYLENE-16-(PHENYLMETHYL)-, (5R-(3E,5R*,9R*,11E,12AS*,13S*,15S*,15AS*,16S*,18AS*))-
    • 14930-96-2

  • Applications

    Cytochalasin B (CAS 14930-96-2) is widely used as a research reagent in life sciences to inhibit actin polymerization and disrupt cytoskeletal dynamics, enabling in vitro studies of cell morphology, adhesion and motility; as a biochemical/biophysical probe it supports investigations of actin-dependent processes and signaling pathways in cell biology; in pharmaceutical and drug-discovery research it is evaluated as a tool compound to dissect actin-related targets and mechanisms; academic and industrial laboratories routinely employ it for assay development and mechanistic studies of cytoskeleton function; its use is typically restricted to research contexts and subject to applicable regulations and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 174.86
    methanol 246.69
    isopropanol 103.75
    water 0.21
    ethyl acetate 165.02
    n-propanol 167.89
    acetone 196.1
    n-butanol 148.9
    acetonitrile 43.29
    DMF 342.13
    toluene 66.35
    isobutanol 99.79
    1,4-dioxane 183.75
    methyl acetate 136.31
    THF 548.17
    2-butanone 211.81
    n-pentanol 91.51
    sec-butanol 105.25
    n-hexane 2.62
    ethylene glycol 32.06
    NMP 387.7
    cyclohexane 4.5
    DMSO 296.12
    n-butyl acetate 75.1
    n-octanol 29.75
    chloroform 224.41
    n-propyl acetate 72.53
    acetic acid 413.19
    dichloromethane 172.91
    cyclohexanone 278.79
    propylene glycol 57.28
    isopropyl acetate 110.34
    DMAc 491.9
    2-ethoxyethanol 173.4
    isopentanol 98.79
    n-heptane 2.31
    ethyl formate 98.83
    1,2-dichloroethane 128.46
    n-hexanol 73.89
    2-methoxyethanol 330.4
    isobutyl acetate 45.2
    tetrachloromethane 25.75
    n-pentyl acetate 78.46
    transcutol 332.26
    n-heptanol 42.7
    ethylbenzene 24.6
    MIBK 92.6
    2-propoxyethanol 195.63
    tert-butanol 67.67
    MTBE 54.69
    2-butoxyethanol 128.5
    propionic acid 159.36
    o-xylene 35.39
    formic acid 162.72
    diethyl ether 88.39
    m-xylene 38.2
    p-xylene 25.45
    chlorobenzene 69.33
    dimethyl carbonate 119.4
    n-octane 1.25
    formamide 166.62
    cyclopentanone 358.29
    2-pentanone 179.16
    anisole 53.68
    cyclopentyl methyl ether 162.88
    gamma-butyrolactone 375.84
    1-methoxy-2-propanol 241.94
    pyridine 183.56
    3-pentanone 133.36
    furfural 241.31
    n-dodecane 1.12
    diethylene glycol 133.16
    diisopropyl ether 19.01
    tert-amyl alcohol 67.65
    acetylacetone 177.01
    n-hexadecane 1.26
    acetophenone 75.87
    methyl propionate 174.72
    isopentyl acetate 68.47
    trichloroethylene 266.54
    n-nonanol 30.98
    cyclohexanol 111.12
    benzyl alcohol 85.2
    2-ethylhexanol 31.48
    isooctanol 32.49
    dipropyl ether 30.77
    1,2-dichlorobenzene 55.14
    ethyl lactate 62.51
    propylene carbonate 182.73
    n-methylformamide 205.52
    2-pentanol 80.78
    n-pentane 4.16
    1-propoxy-2-propanol 114.19
    1-methoxy-2-propyl acetate 124.42
    2-(2-methoxypropoxy) propanol 82.0
    mesitylene 18.02
    ε-caprolactone 258.12
    p-cymene 12.96
    epichlorohydrin 400.57
    1,1,1-trichloroethane 89.37
    2-aminoethanol 88.87
    morpholine-4-carbaldehyde 346.16
    sulfolane 363.35
    2,2,4-trimethylpentane 2.49
    2-methyltetrahydrofuran 210.73
    n-hexyl acetate 84.35
    isooctane 1.61
    2-(2-butoxyethoxy)ethanol 131.66
    sec-butyl acetate 58.27
    tert-butyl acetate 86.81
    decalin 3.14
    glycerin 97.41
    diglyme 199.03
    acrylic acid 155.72
    isopropyl myristate 25.02
    n-butyric acid 255.27
    acetyl acetate 107.49
    di(2-ethylhexyl) phthalate 39.77
    ethyl propionate 70.27
    nitromethane 293.46
    1,2-diethoxyethane 83.26
    benzonitrile 62.69
    trioctyl phosphate 27.79
    1-bromopropane 69.99
    gamma-valerolactone 520.8
    n-decanol 20.4
    triethyl phosphate 31.43
    4-methyl-2-pentanol 43.53
    propionitrile 65.79
    vinylene carbonate 176.64
    1,1,2-trichlorotrifluoroethane 280.74
    DMS 76.83
    cumene 15.11
    2-octanol 24.88
    2-hexanone 83.95
    octyl acetate 39.56
    limonene 19.71
    1,2-dimethoxyethane 157.2
    ethyl orthosilicate 30.53
    tributyl phosphate 30.74
    diacetone alcohol 131.87
    N,N-dimethylaniline 43.17
    acrylonitrile 83.04
    aniline 104.1
    1,3-propanediol 158.71
    bromobenzene 61.53
    dibromomethane 102.75
    1,1,2,2-tetrachloroethane 200.43
    2-methyl-cyclohexyl acetate 51.12
    tetrabutyl urea 43.42
    diisobutyl methanol 17.21
    2-phenylethanol 76.23
    styrene 28.71
    dioctyl adipate 42.78
    dimethyl sulfate 166.8
    ethyl butyrate 51.15
    methyl lactate 140.25
    butyl lactate 74.41
    diethyl carbonate 34.34
    propanediol butyl ether 100.0
    triethyl orthoformate 40.68
    p-tert-butyltoluene 12.81
    methyl 4-tert-butylbenzoate 72.6
    morpholine 280.79
    tert-butylamine 25.88
    n-dodecanol 13.37
    dimethoxymethane 286.31
    ethylene carbonate 152.3
    cyrene 110.87
    2-ethoxyethyl acetate 132.51
    2-ethylhexyl acetate 51.94
    1,2,4-trichlorobenzene 75.47
    4-methylpyridine 165.93
    dibutyl ether 22.74
    2,6-dimethyl-4-heptanol 17.21
    DEF 189.55
    dimethyl isosorbide 126.24
    tetrachloroethylene 131.33
    eugenol 73.73
    triacetin 81.27
    span 80 77.76
    1,4-butanediol 61.18
    1,1-dichloroethane 113.06
    2-methyl-1-pentanol 72.37
    methyl formate 152.79
    2-methyl-1-butanol 107.35
    n-decane 2.02
    butyronitrile 68.23
    3,7-dimethyl-1-octanol 26.95
    1-chlorooctane 12.32
    1-chlorotetradecane 4.53
    n-nonane 1.62
    undecane 1.44
    tert-butylcyclohexane 2.47
    cyclooctane 1.87
    cyclopentanol 135.27
    tetrahydropyran 188.42
    tert-amyl methyl ether 56.96
    2,5,8-trioxanonane 117.8
    1-hexene 16.37
    2-isopropoxyethanol 103.39
    2,2,2-trifluoroethanol 112.74
    methyl butyrate 93.48

    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