Artemisin

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  • Identifiers

    CAS number
    481-05-0

    Molecular formula
    C15H18O4

    SMILES
    C[C@H]1[C@@H]2[C@H](C[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 53.85%
    Caramellic 44.1%
    Burnt 36.83%
    Nutty 29.26%
    Roasted 29.19%
    Spicy 29.1%
    Odorless 29.04%
    Coumarinic 27.24%
    Coconut 26.42%
    Woody 25.0%

     

    Flavor
    Bitter 88.95%
    Cedarleaf 20.33%
    Lovage 20.08%
    Sweet-like 19.56%
    Fenugreek 19.55%
    Basil 19.23%
    Leaves 19.18%
    Ripe apricot 19.09%
    Seedy 19.04%
    Extremely sweet 18.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.42 (neutral)

    Molecular weight
    262.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    733°C

    Flash point

    • 204.36 ˚C est.

  • Synonyms

    • Artemisin
    • Y1R67R7XWU
    • DTXSID80877833
    • RefChem:916252
    • DTXCID901015900
    • 4-hydroxysantonin
    • 481-05-0
    • (3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
    • UNII-Y1R67R7XWU
    • ARTEMISIN [MI]
    • SCHEMBL83537
    • CHEBI:2852
    • CHEMBL158124
    • 4-HYDROXYSANTONIN [MI]
    • SRI-2813
    • (3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
    • NS00093648
    • C09344
    • 481A050
    • Q27105849
    • 3a,5,5a,9b-Tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • (3S,3aR,4S,5aS,9bS)-4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,4alpha,5abeta,9bbeta))-
    • 481-05-0

  • Applications

    Artemisin (CAS 481-05-0) is primarily used in the pharmaceutical sector as the active ingredient in artemisinin-based combination therapies (ACTs) for malaria treatment. Beyond its role as a therapeutic active ingredient, it is commonly treated as a starting material or intermediate in organic synthesis to prepare artemisinin-derived compounds and other pharmacologically active derivatives, supporting medicinal chemistry and drug discovery efforts. It is also regarded as a natural-product–based scaffold to guide synthesis routes in the development of new medicines. In addition, artemisin may be considered in pharmaceutical manufacturing research and supply chains based on natural sources, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.05
    methanol 22.39
    isopropanol 10.11
    water 0.55
    ethyl acetate 19.89
    n-propanol 9.03
    acetone 33.35
    n-butanol 10.09
    acetonitrile 19.26
    DMF 112.27
    toluene 26.88
    isobutanol 8.06
    1,4-dioxane 67.28
    methyl acetate 27.24
    THF 83.31
    2-butanone 32.21
    n-pentanol 8.51
    sec-butanol 5.15
    n-hexane 0.2
    ethylene glycol 6.83
    NMP 96.41
    cyclohexane 0.89
    DMSO 79.16
    n-butyl acetate 22.47
    n-octanol 7.87
    chloroform 96.74
    n-propyl acetate 19.63
    acetic acid 26.68
    dichloromethane 69.85
    cyclohexanone 69.98
    propylene glycol 3.89
    isopropyl acetate 18.15
    DMAc 92.41
    2-ethoxyethanol 25.16
    isopentanol 12.34
    n-heptane 0.26
    ethyl formate 19.89
    1,2-dichloroethane 36.44
    n-hexanol 14.2
    2-methoxyethanol 47.34
    isobutyl acetate 16.79
    tetrachloromethane 9.22
    n-pentyl acetate 19.94
    transcutol 44.52
    n-heptanol 11.19
    ethylbenzene 10.5
    MIBK 21.39
    2-propoxyethanol 48.43
    tert-butanol 13.23
    MTBE 4.53
    2-butoxyethanol 28.24
    propionic acid 16.79
    o-xylene 15.7
    formic acid 24.19
    diethyl ether 5.89
    m-xylene 18.58
    p-xylene 17.08
    chlorobenzene 31.81
    dimethyl carbonate 28.3
    n-octane 0.25
    formamide 39.38
    cyclopentanone 87.8
    2-pentanone 24.49
    anisole 22.74
    cyclopentyl methyl ether 21.92
    gamma-butyrolactone 91.45
    1-methoxy-2-propanol 33.7
    pyridine 64.28
    3-pentanone 21.72
    furfural 85.43
    n-dodecane 0.4
    diethylene glycol 51.25
    diisopropyl ether 3.02
    tert-amyl alcohol 6.6
    acetylacetone 41.57
    n-hexadecane 0.49
    acetophenone 34.72
    methyl propionate 24.2
    isopentyl acetate 23.53
    trichloroethylene 89.97
    n-nonanol 9.01
    cyclohexanol 14.41
    benzyl alcohol 29.48
    2-ethylhexanol 9.44
    isooctanol 10.04
    dipropyl ether 5.36
    1,2-dichlorobenzene 31.47
    ethyl lactate 17.24
    propylene carbonate 43.92
    n-methylformamide 43.38
    2-pentanol 5.27
    n-pentane 0.21
    1-propoxy-2-propanol 25.38
    1-methoxy-2-propyl acetate 32.19
    2-(2-methoxypropoxy) propanol 28.66
    mesitylene 9.76
    ε-caprolactone 51.67
    p-cymene 8.41
    epichlorohydrin 81.8
    1,1,1-trichloroethane 29.15
    2-aminoethanol 9.05
    morpholine-4-carbaldehyde 107.08
    sulfolane 99.8
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 28.25
    n-hexyl acetate 22.48
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 29.79
    sec-butyl acetate 14.12
    tert-butyl acetate 19.48
    decalin 0.96
    glycerin 15.59
    diglyme 55.6
    acrylic acid 21.24
    isopropyl myristate 10.48
    n-butyric acid 23.54
    acetyl acetate 26.14
    di(2-ethylhexyl) phthalate 18.21
    ethyl propionate 17.93
    nitromethane 63.5
    1,2-diethoxyethane 15.8
    benzonitrile 42.04
    trioctyl phosphate 12.74
    1-bromopropane 9.75
    gamma-valerolactone 108.47
    n-decanol 6.86
    triethyl phosphate 14.25
    4-methyl-2-pentanol 6.75
    propionitrile 19.06
    vinylene carbonate 52.97
    1,1,2-trichlorotrifluoroethane 53.81
    DMS 30.28
    cumene 7.75
    2-octanol 6.61
    2-hexanone 20.32
    octyl acetate 13.75
    limonene 8.16
    1,2-dimethoxyethane 49.27
    ethyl orthosilicate 12.87
    tributyl phosphate 13.43
    diacetone alcohol 29.22
    N,N-dimethylaniline 18.4
    acrylonitrile 35.98
    aniline 31.61
    1,3-propanediol 18.55
    bromobenzene 29.62
    dibromomethane 34.61
    1,1,2,2-tetrachloroethane 62.04
    2-methyl-cyclohexyl acetate 22.11
    tetrabutyl urea 20.06
    diisobutyl methanol 6.47
    2-phenylethanol 33.85
    styrene 11.41
    dioctyl adipate 17.43
    dimethyl sulfate 48.28
    ethyl butyrate 16.68
    methyl lactate 23.53
    butyl lactate 19.3
    diethyl carbonate 14.78
    propanediol butyl ether 18.65
    triethyl orthoformate 14.62
    p-tert-butyltoluene 7.26
    methyl 4-tert-butylbenzoate 30.51
    morpholine 51.74
    tert-butylamine 5.0
    n-dodecanol 5.04
    dimethoxymethane 62.57
    ethylene carbonate 43.8
    cyrene 45.28
    2-ethoxyethyl acetate 29.2
    2-ethylhexyl acetate 18.96
    1,2,4-trichlorobenzene 37.82
    4-methylpyridine 62.67
    dibutyl ether 5.64
    2,6-dimethyl-4-heptanol 6.47
    DEF 31.0
    dimethyl isosorbide 53.23
    tetrachloroethylene 43.44
    eugenol 34.49
    triacetin 28.53
    span 80 22.36
    1,4-butanediol 8.62
    1,1-dichloroethane 27.88
    2-methyl-1-pentanol 10.46
    methyl formate 41.23
    2-methyl-1-butanol 8.37
    n-decane 0.62
    butyronitrile 16.72
    3,7-dimethyl-1-octanol 8.33
    1-chlorooctane 3.94
    1-chlorotetradecane 1.9
    n-nonane 0.43
    undecane 0.49
    tert-butylcyclohexane 0.7
    cyclooctane 0.38
    cyclopentanol 15.99
    tetrahydropyran 26.69
    tert-amyl methyl ether 4.72
    2,5,8-trioxanonane 43.55
    1-hexene 1.26
    2-isopropoxyethanol 20.59
    2,2,2-trifluoroethanol 21.59
    methyl butyrate 23.95

    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