Demecolcine

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  • Identifiers

    CAS number
    477-30-5

    Molecular formula
    C21H25NO5

    SMILES
    CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Vanilla 43.51%
    Spicy 38.82%
    Sweet 37.02%
    Phenolic 35.29%
    Smoky 28.76%
    Powdery 27.42%
    Balsamic 26.77%
    Burnt 25.59%
    Odorless 25.51%
    Woody 24.32%

     

    Flavor
    Bitter 81.78%
    Bland 26.1%
    Parsley 22.43%
    Cedarleaf 20.75%
    Eugenol 20.52%
    Sweet-like 20.45%
    Lovage 20.22%
    Odorless 19.4%
    Ham 19.37%
    Ripe apricot 19.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.67 (neutral)

    Molecular weight
    371.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    691°C

    Flash point

    • 192.83 ˚C est.

  • Synonyms

    • Demecolcine
    • colcemid
    • 477-30-5
    • Demecolcin
    • Desmecolcine
    • Kolchamin
    • Kolkamin
    • Omaine
    • Omain
    • Santavy's substance F
    • Methylcolchicine
    • Deacetylmethylcolchicine
    • Demecolcina
    • Deacetyl-N-methylcolchicine
    • Desacetylmethylcolchicine
    • Demecolcinum
    • Kolchicin
    • NSC-3096
    • C-12669
    • Alkaloid H 3, from colchicum antumnale
    • Ciba 12669A
    • X 153
    • DTXSID7020342
    • Z01IVE25KI
    • (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
    • DTXCID70342
    • Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-
    • CHEBI:4393
    • NSC3096
    • NSC403147
    • (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo(a)heptalen-9-one
    • Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-
    • RefChem:585707
    • L01CC01
    • 207-514-6
    • Colchamine
    • (-)-Demecolcine
    • Colcemide
    • Reichstein's F
    • N-Deacetyl-N-methylcolchicine
    • (-)-Colchamine
    • N-Methyl-N-deacetylcolchicine
    • N-Desacetyl-N-methylcolchicine
    • N-Methyl-N-desacetylcolchicine
    • Colchamin
    • N-Desacetylmethylcolchicine
    • Colchicine, N-deacetyl-N-methyl-
    • (S)-1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
    • (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
    • Colchicine, 7-deacetamido-7-(methylamino)-
    • MFCD00075459
    • Ciba 12669 A
    • CHEMBL312862
    • Colchicine, deacetyl-N-methyl-
    • Kolchicin [Czech]
    • Desmecolchine
    • Demecolcinum [INN-Latin]
    • Demecolcina [INN-Spanish]
    • SMR000058249
    • Demecolcine [INN:BAN:DCF]
    • CCRIS 2764
    • 6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(alpha)heptalen-9(5H)-one
    • NSC 3096
    • EINECS 207-514-6
    • WLN: L B677 MV&T&J CO1 DO1 EO1 JM1 NO1
    • UNII-Z01IVE25KI
    • BRN 2822892
    • Demicolcine
    • Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-
    • Colcemid;Colchamin;Desmecolcine;Kolchamin
    • NCGC00166035-01
    • Alkaloid H 3
    • Colcemid (Standard)
    • DEMECOLCINE [MI]
    • DEMECOLCINE [INN]
    • SCHEMBL8161
    • DEMECOLCINE [WHO-DD]
    • MLS001332501
    • MLS001332502
    • MLS002695919
    • Colchine, N-deacetyl-N-methyl
    • cid_220401
    • SCHEMBL31282126
    • BCBcMAP01_000022
    • Demecolcine, >=98% (HPLC)
    • HY-N0282R
    • HMS2230L17
    • BB_NC-01469
    • HY-N0282
    • Tox21_112296
    • BDBM50014872
    • AKOS002141248
    • DB13318
    • EBC-519510
    • FC15451
    • KS-5002
    • NSC-403147
    • (7S)-7-(methylamino)-1,2,3,10-tetrakis(methyloxy)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
    • SMP1_000076
    • Colcemid, N-methyl-N-deacetyl-colchicine
    • NCGC00166035-02
    • CAS-477-30-5
    • ST057181
    • DB-215080
    • CS-0008779
    • 477D305
    • A827317
    • AA-504/21125025
    • AK-693/21159022
    • Q903666
    • SR-01000841244
    • Demecolcine, >=98.0% (sum of enantiomers, HPLC)
    • SR-01000841244-3
    • BRD-K38624570-001-10-7
    • 6,2,3,10-tetramethoxy-7-(methylamino)-benzo[.alpha.]heptalen-9(5H)-one
    • Demecolcine, Hybri-Max(TM), powder, gamma-irradiated, hybridoma tested
    • (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-5,6,7-trihydrobenzo[a]heptalen-9-on e
    • (S)-1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one
    • 1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one #
    • 1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one (Demecolcine)
    • 6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(a)heptalen-9(5H)-one
    • (10S)-3,4,5,14-tetramethoxy-10-(methylamino)tricyclo[9.5.0.0,2,7]hexadeca-1(16),2(7),3,5,11,14-hexaen-13-one
    • LON
    • 477-30-5

  • Applications

    Demecolcine (CAS 477-30-5) is primarily used as a mitotic inhibitor in basic research and cytogenetics to arrest cells at metaphase for chromosome analysis; it is employed in plant genetics to induce polyploidy in plant tissues for breeding and trait improvement; in cell biology and microtubule dynamics studies it serves as a tool compound to probe microtubule function; and as a laboratory reagent in pharmaceutical/biomedical research to study mitosis and chromosome segregation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.11
    methanol 15.31
    isopropanol 6.29
    water 0.78
    ethyl acetate 25.08
    n-propanol 10.12
    acetone 21.23
    n-butanol 8.87
    acetonitrile 12.83
    DMF 39.13
    toluene 3.38
    isobutanol 7.27
    1,4-dioxane 22.94
    methyl acetate 21.32
    THF 18.72
    2-butanone 16.82
    n-pentanol 10.02
    sec-butanol 5.98
    n-hexane 0.54
    ethylene glycol 15.28
    NMP 53.22
    cyclohexane 1.19
    DMSO 45.39
    n-butyl acetate 14.92
    n-octanol 5.27
    chloroform 57.99
    n-propyl acetate 16.8
    acetic acid 56.05
    dichloromethane 61.78
    cyclohexanone 33.36
    propylene glycol 6.07
    isopropyl acetate 14.99
    DMAc 53.38
    2-ethoxyethanol 32.7
    isopentanol 8.56
    n-heptane 0.63
    ethyl formate 24.48
    1,2-dichloroethane 40.45
    n-hexanol 9.55
    2-methoxyethanol 37.32
    isobutyl acetate 11.41
    tetrachloromethane 14.91
    n-pentyl acetate 15.51
    transcutol 29.13
    n-heptanol 8.49
    ethylbenzene 3.95
    MIBK 11.57
    2-propoxyethanol 29.48
    tert-butanol 7.64
    MTBE 5.32
    2-butoxyethanol 23.74
    propionic acid 22.55
    o-xylene 4.77
    formic acid 44.22
    diethyl ether 7.99
    m-xylene 3.55
    p-xylene 5.16
    chlorobenzene 13.66
    dimethyl carbonate 26.17
    n-octane 0.58
    formamide 51.57
    cyclopentanone 32.38
    2-pentanone 15.34
    anisole 8.31
    cyclopentyl methyl ether 9.43
    gamma-butyrolactone 49.02
    1-methoxy-2-propanol 20.95
    pyridine 22.91
    3-pentanone 14.91
    furfural 58.81
    n-dodecane 0.59
    diethylene glycol 42.44
    diisopropyl ether 3.01
    tert-amyl alcohol 7.66
    acetylacetone 30.36
    n-hexadecane 0.67
    acetophenone 18.34
    methyl propionate 24.08
    isopentyl acetate 14.42
    trichloroethylene 76.44
    n-nonanol 5.94
    cyclohexanol 10.09
    benzyl alcohol 16.51
    2-ethylhexanol 7.81
    isooctanol 7.54
    dipropyl ether 5.42
    1,2-dichlorobenzene 20.12
    ethyl lactate 17.29
    propylene carbonate 35.79
    n-methylformamide 31.49
    2-pentanol 5.37
    n-pentane 0.56
    1-propoxy-2-propanol 15.65
    1-methoxy-2-propyl acetate 21.24
    2-(2-methoxypropoxy) propanol 17.6
    mesitylene 2.9
    ε-caprolactone 34.94
    p-cymene 4.96
    epichlorohydrin 49.75
    1,1,1-trichloroethane 28.19
    2-aminoethanol 14.2
    morpholine-4-carbaldehyde 52.6
    sulfolane 66.66
    2,2,4-trimethylpentane 0.65
    2-methyltetrahydrofuran 12.06
    n-hexyl acetate 12.72
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 20.54
    sec-butyl acetate 11.07
    tert-butyl acetate 13.78
    decalin 1.11
    glycerin 22.1
    diglyme 39.42
    acrylic acid 33.62
    isopropyl myristate 5.88
    n-butyric acid 27.81
    acetyl acetate 32.43
    di(2-ethylhexyl) phthalate 11.43
    ethyl propionate 15.7
    nitromethane 71.08
    1,2-diethoxyethane 12.51
    benzonitrile 16.03
    trioctyl phosphate 8.47
    1-bromopropane 10.28
    gamma-valerolactone 54.26
    n-decanol 4.74
    triethyl phosphate 13.33
    4-methyl-2-pentanol 4.54
    propionitrile 11.38
    vinylene carbonate 41.72
    1,1,2-trichlorotrifluoroethane 86.82
    DMS 22.42
    cumene 3.91
    2-octanol 4.78
    2-hexanone 13.83
    octyl acetate 8.06
    limonene 6.08
    1,2-dimethoxyethane 28.7
    ethyl orthosilicate 11.51
    tributyl phosphate 9.53
    diacetone alcohol 19.8
    N,N-dimethylaniline 8.15
    acrylonitrile 19.36
    aniline 9.84
    1,3-propanediol 19.55
    bromobenzene 11.86
    dibromomethane 30.93
    1,1,2,2-tetrachloroethane 57.77
    2-methyl-cyclohexyl acetate 15.27
    tetrabutyl urea 12.58
    diisobutyl methanol 4.67
    2-phenylethanol 17.42
    styrene 4.38
    dioctyl adipate 11.43
    dimethyl sulfate 46.51
    ethyl butyrate 13.32
    methyl lactate 26.19
    butyl lactate 15.64
    diethyl carbonate 13.22
    propanediol butyl ether 13.71
    triethyl orthoformate 11.37
    p-tert-butyltoluene 4.12
    methyl 4-tert-butylbenzoate 19.92
    morpholine 23.53
    tert-butylamine 3.84
    n-dodecanol 3.75
    dimethoxymethane 31.15
    ethylene carbonate 34.61
    cyrene 33.76
    2-ethoxyethyl acetate 25.35
    2-ethylhexyl acetate 12.5
    1,2,4-trichlorobenzene 23.36
    4-methylpyridine 15.21
    dibutyl ether 4.48
    2,6-dimethyl-4-heptanol 4.67
    DEF 27.03
    dimethyl isosorbide 31.03
    tetrachloroethylene 54.67
    eugenol 23.57
    triacetin 20.06
    span 80 14.15
    1,4-butanediol 13.09
    1,1-dichloroethane 21.26
    2-methyl-1-pentanol 10.5
    methyl formate 32.25
    2-methyl-1-butanol 8.33
    n-decane 0.85
    butyronitrile 10.7
    3,7-dimethyl-1-octanol 5.25
    1-chlorooctane 3.83
    1-chlorotetradecane 2.05
    n-nonane 0.67
    undecane 0.68
    tert-butylcyclohexane 0.75
    cyclooctane 0.55
    cyclopentanol 9.74
    tetrahydropyran 11.11
    tert-amyl methyl ether 6.01
    2,5,8-trioxanonane 30.29
    1-hexene 2.17
    2-isopropoxyethanol 21.45
    2,2,2-trifluoroethanol 53.97
    methyl butyrate 19.18

    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