Paclitaxel

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  • Identifiers

    CAS number
    33069-62-4

    Molecular formula
    C47H51NO14

    SMILES
    CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 61.64%
    Balsamic 24.39%
    Sweet 22.64%
    Milky 21.85%
    Cooling 21.67%
    Fruity 20.48%
    Grape 19.86%
    Savory 19.68%
    Bitter 18.81%
    Vanilla 17.95%

     

    Flavor
    Bitter 90.36%
    Odorless 33.08%
    Bland 29.95%
    Sweet-like 22.12%
    Very mild 20.63%
    Cedarleaf 19.4%
    Heather 18.88%
    Broom 18.83%
    Parsley 18.69%
    Nitrile 18.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    1.79 (strong acid)

    Molecular weight
    853.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2309°C

    Melting point expt.

    • 415 to 421 °F (NTP, 1992)
    • 216-217 °C
    • 213-216 °C (decomposition)
    • 213 - 216 °C

    Flash point

    • 228.81 ˚C est.

    Solubility expt.

    • Insoluble
    • Insoluble in water
    • 5.56e-03 g/L

  • Synonyms

    • paclitaxel
    • TAXOL
    • 33069-62-4
    • Yewtaxan
    • Taxol A
    • Plaxicel
    • Genaxol
    • Genetaxyl
    • Ebetaxel
    • Capxol
    • OncoGel
    • Genexol
    • Intaxel
    • Mitotax
    • Pacliex
    • Paxene
    • Onxol
    • TaxAlbin
    • Cyclopax
    • Paxceed
    • Onxal
    • EmPAC
    • Taxus Liberte
    • Taxus stent
    • Zisu
    • Tocosol Paclitaxel
    • (-)-Paclitaxel
    • Padexol
    • Taxus
    • EndoTAG 1
    • LEP-ETU
    • NSC-125973
    • Nanoxel
    • Paclitaxol
    • Sindaxel
    • Coroflex Please
    • Cypher select
    • Taxus Express
    • DHP-107
    • MBT 0206
    • P88XT4IS4D
    • BMS-181339-01
    • Infinnium
    • DHP 107
    • Abraxane I.V. Suspension
    • BMS 181339-01
    • NK 105
    • NK-105
    • NSC125973
    • Paclitaxel (taxus canadensis)
    • QW 8184
    • QW-8184
    • Liposome-entrapped paclitaxel easy-to-use
    • DTXSID9023413
    • IG 001
    • 5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine
    • DTXCID603413
    • (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester
    • CHEBI:45863
    • 7 epi Taxol
    • ABRAXANE COMPONENT PACLITAXEL
    • ABI-007 COMPONENT PACLITAXEL
    • NAB-PACLITAXEL COMPONENT PACLITAXEL
    • NSC 125973
    • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
    • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
    • Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-
    • paclitaxelum
    • Bris Taxol
    • Taxol, Bris
    • ((1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl) benzoate
    • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-(((2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl)oxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.0^(3,10).0^(4,7))heptadec-13-en-2-yl benzoate
    • PACITAXEL
    • RefChem:6096
    • Taxol 100
    • PACLITAXEL PACLITAXEL
    • L01CD01
    • PACLITAXEL PROTEIN BOUND PARTICLES ALBUMIN BOUND
    • Paclitaxel protein-bound particles for injectable suspension (albumin-bound)
    • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-(((2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl)oxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl benzoate
    • Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,1-2alpha,12aalpha,12balpha))-
    • Tax-11-en-9-one, 5beta,20-epoxy-1,2alpha,4,7beta,10beta,13alpha-hexahydroxy-, 4,10-diacetate 2-benzoate, 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine
    • Abraxane
    • LipoPac
    • Genexol-PM
    • ABI-007
    • MFCD00869953
    • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate
    • HSDB 6839
    • ABI 007
    • DRG-0190
    • MBT-0206
    • Paclitaxel (Taxol)
    • Paclitaxel, Taxus brevifolia
    • CHEMBL428647
    • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
    • NCGC00164367-01
    • C47H51NO14
    • nab-paclitaxel
    • M02242
    • Cynviloq
    • Xorane
    • Taxol (Paclitaxel)
    • (NAB)-Paclitaxel
    • SMR000857385
    • EndoTAG-1
    • SR-01000075350
    • UNII-P88XT4IS4D
    • Anzatax
    • Nanotaxel
    • Paclical
    • Pacligel
    • Paxoral
    • l diacetate
    • Paclitaxel?
    • CCRIS 8143
    • Anzatax;
    • Paclitaxel CRS
    • Paclitaxel HCL
    • Paclitaxel [USAN:USP:INN:BAN]
    • Abraxane (TN)
    • [diacetoxy-[(2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoyl]oxy-dihydroxy-tetramethyl-oxo-[?]yl] benzoate
    • Paclitaxel; 5beta,20-Epoxy-1,7beta-dihydroxy-9-oxotax-11-ene-2alpha,4,10beta,13alpha-tetrayl 4,10-diacetate 2-benzoate 13-[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate]; Taxol; Docetaxel Anhydrous Impurity F; Docetaxel Impurity F
    • Taxol A;
    • CAS-33069-62-4
    • Paclitaxel (natural)
    • BMS-181339
    • 33069-62-4

  • Applications

    Paclitaxel (CAS 33069-62-4) is used primarily in the pharmaceutical sector as an anticancer agent for chemotherapy; it is manufactured and formulated as an API or finished dosage form, including nanoparticle albumin-bound formulations (nab-paclitaxel); it is also employed as an analytical reference standard in quality control and research, and production and distribution of Paclitaxel are subject to strict regulatory controls and GMP practices.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.64
    methanol 55.56
    isopropanol 17.85
    water 0.3
    ethyl acetate 21.63
    n-propanol 21.03
    acetone 94.83
    n-butanol 12.03
    acetonitrile 18.07
    DMF 365.77
    toluene 6.12
    isobutanol 10.34
    1,4-dioxane 89.74
    methyl acetate 39.27
    THF 223.58
    2-butanone 49.41
    n-pentanol 10.82
    sec-butanol 11.65
    n-hexane 0.25
    ethylene glycol 26.71
    NMP 324.77
    cyclohexane 0.47
    DMSO 396.82
    n-butyl acetate 8.45
    n-octanol 5.08
    chloroform 49.16
    n-propyl acetate 12.87
    acetic acid 166.53
    dichloromethane 42.25
    cyclohexanone 75.39
    propylene glycol 30.01
    isopropyl acetate 11.85
    DMAc 328.76
    2-ethoxyethanol 60.07
    isopentanol 6.7
    n-heptane 0.24
    ethyl formate 26.18
    1,2-dichloroethane 24.67
    n-hexanol 5.69
    2-methoxyethanol 118.83
    isobutyl acetate 5.45
    tetrachloromethane 4.88
    n-pentyl acetate 9.45
    transcutol 38.62
    n-heptanol 5.47
    ethylbenzene 2.4
    MIBK 10.55
    2-propoxyethanol 42.21
    tert-butanol 11.56
    MTBE 6.98
    2-butoxyethanol 24.02
    propionic acid 42.19
    o-xylene 3.68
    formic acid 85.49
    diethyl ether 10.55
    m-xylene 2.77
    p-xylene 3.56
    chlorobenzene 8.26
    dimethyl carbonate 57.65
    n-octane 0.15
    formamide 100.22
    cyclopentanone 160.18
    2-pentanone 26.48
    anisole 11.43
    cyclopentyl methyl ether 24.51
    gamma-butyrolactone 168.36
    1-methoxy-2-propanol 69.48
    pyridine 59.85
    3-pentanone 21.24
    furfural 104.36
    n-dodecane 0.13
    diethylene glycol 45.96
    diisopropyl ether 1.67
    tert-amyl alcohol 9.04
    acetylacetone 59.14
    n-hexadecane 0.16
    acetophenone 18.69
    methyl propionate 37.54
    isopentyl acetate 5.68
    trichloroethylene 65.14
    n-nonanol 5.08
    cyclohexanol 10.81
    benzyl alcohol 18.87
    2-ethylhexanol 2.55
    isooctanol 3.5
    dipropyl ether 5.47
    1,2-dichlorobenzene 7.17
    ethyl lactate 14.68
    propylene carbonate 46.56
    n-methylformamide 121.98
    2-pentanol 5.38
    n-pentane 0.27
    1-propoxy-2-propanol 21.04
    1-methoxy-2-propyl acetate 17.3
    2-(2-methoxypropoxy) propanol 16.77
    mesitylene 1.34
    ε-caprolactone 58.28
    p-cymene 1.14
    epichlorohydrin 117.07
    1,1,1-trichloroethane 15.77
    2-aminoethanol 33.89
    morpholine-4-carbaldehyde 240.26
    sulfolane 266.34
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 43.31
    n-hexyl acetate 9.66
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 23.44
    sec-butyl acetate 5.91
    tert-butyl acetate 10.06
    decalin 0.24
    glycerin 65.73
    diglyme 47.93
    acrylic acid 64.59
    isopropyl myristate 2.99
    n-butyric acid 32.91
    acetyl acetate 23.57
    di(2-ethylhexyl) phthalate 5.11
    ethyl propionate 11.66
    nitromethane 224.96
    1,2-diethoxyethane 11.75
    benzonitrile 12.31
    trioctyl phosphate 3.9
    1-bromopropane 7.35
    gamma-valerolactone 265.46
    n-decanol 3.26
    triethyl phosphate 4.89
    4-methyl-2-pentanol 2.66
    propionitrile 13.63
    vinylene carbonate 49.58
    1,1,2-trichlorotrifluoroethane 125.59
    DMS 14.72
    cumene 1.35
    2-octanol 3.21
    2-hexanone 16.96
    octyl acetate 5.46
    limonene 1.73
    1,2-dimethoxyethane 75.96
    ethyl orthosilicate 4.11
    tributyl phosphate 3.68
    diacetone alcohol 24.33
    N,N-dimethylaniline 8.74
    acrylonitrile 27.95
    aniline 14.63
    1,3-propanediol 41.94
    bromobenzene 6.62
    dibromomethane 19.8
    1,1,2,2-tetrachloroethane 49.09
    2-methyl-cyclohexyl acetate 6.46
    tetrabutyl urea 8.24
    diisobutyl methanol 1.33
    2-phenylethanol 11.03
    styrene 3.34
    dioctyl adipate 6.79
    dimethyl sulfate 108.53
    ethyl butyrate 7.17
    methyl lactate 47.76
    butyl lactate 11.66
    diethyl carbonate 5.53
    propanediol butyl ether 23.53
    triethyl orthoformate 6.36
    p-tert-butyltoluene 1.11
    methyl 4-tert-butylbenzoate 13.1
    morpholine 109.8
    tert-butylamine 3.24
    n-dodecanol 2.08
    dimethoxymethane 125.29
    ethylene carbonate 37.23
    cyrene 45.73
    2-ethoxyethyl acetate 18.34
    2-ethylhexyl acetate 4.53
    1,2,4-trichlorobenzene 12.36
    4-methylpyridine 36.06
    dibutyl ether 3.44
    2,6-dimethyl-4-heptanol 1.33
    DEF 47.69
    dimethyl isosorbide 27.8
    tetrachloroethylene 28.04
    eugenol 15.06
    triacetin 16.78
    span 80 16.18
    1,4-butanediol 21.11
    1,1-dichloroethane 18.0
    2-methyl-1-pentanol 6.08
    methyl formate 105.77
    2-methyl-1-butanol 7.33
    n-decane 0.26
    butyronitrile 9.94
    3,7-dimethyl-1-octanol 2.61
    1-chlorooctane 1.58
    1-chlorotetradecane 0.56
    n-nonane 0.21
    undecane 0.18
    tert-butylcyclohexane 0.16
    cyclooctane 0.15
    cyclopentanol 25.23
    tetrahydropyran 37.25
    tert-amyl methyl ether 6.27
    2,5,8-trioxanonane 32.39
    1-hexene 1.35
    2-isopropoxyethanol 25.81
    2,2,2-trifluoroethanol 58.42
    methyl butyrate 17.48

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
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Category 6
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