Parthenolide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20554-84-1

    Molecular formula
    C15H20O3

    SMILES
    C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 50.31%
    Spicy 45.19%
    Coumarinic 38.64%
    Mint 38.17%
    Herbal 37.33%
    Woody 37.25%
    Coconut 36.38%
    Tobacco 33.63%
    Hay 31.41%
    Celery 29.43%

     

    Flavor
    Bitter 79.58%
    Minty 25.67%
    Cedarleaf 21.04%
    Lovage 20.89%
    Ripe apricot 20.13%
    Red fruit 19.65%
    Herbal 19.62%
    Basil 19.51%
    Shrimp 19.39%
    Leaves 19.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.77 (neutral)

    Molecular weight
    248.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    481°C

    Flash point

    • 143.9 ˚C est.

  • Synonyms

    • parthenolide
    • 20554-84-1
    • (-)-Parthenolide
    • DTXSID2040579
    • NSC-157035
    • (1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
    • 2RDB26I5ZB
    • DTXCID0020579
    • (1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo(9.3.0.02,4)tetradec-7-en-13-one
    • RefChem:170121
    • CHEBI:7939
    • (1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
    • NSC157035
    • SCHEMBL8219
    • 4,5alpha-Epoxy-6beta-hydroxygermacra-1(10),11(13)-dien-12-oic Acid gamma-Lactone
    • MEGxp0_000050
    • orb1306377
    • SCHEMBL23758048
    • ACon1_001961
    • Parthenolide ((-)-Parthenolide)
    • CHEBI:181553
    • HMS3266B13
    • HMS3411K04
    • HMS3675K04
    • (1aR,7aS,10aS,10bS,E)-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-9(1aH)-one
    • Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bS)-
    • EBC-26314
    • s2341
    • AKOS015969726
    • AKOS022168211
    • CCG-266943
    • DB13063
    • NCGC00024683-03
    • NCGC00024683-06
    • NCGC00024683-20
    • NCGC00024683-23
    • NCGC00024683-28
    • P1982
    • C07609
    • EN300-26868926
    • SR-01000597658
    • SR-01000597658-1
    • BRD-K98548675-001-04-2
    • BRD-K98548675-001-05-9
    • Q63409339
    • (1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0,2,4]tetradec-7-en-13-one
    • 503551-53-9
    • Germacra-1(10),11(13)-dien-12-oic acid, 4,5.alpha.-epoxy-6.beta.-hydroxy-, gamma.-lactone
    • parthenolide

  • Applications

    Parthenolide (CAS 20554-84-1) is primarily used in natural product chemistry and pharmaceutical research as a lead scaffold and research material rather than a consumer additive. It serves as an intermediate or starting material in synthetic routes to sesquiterpene lactone derivatives, and as an analytical reference standard for quality control and method development for feverfew extracts. It is commonly evaluated in laboratory studies for its bioactive properties to support structure-activity investigations. Additionally, it can function as a research reagent in teaching laboratories and as a source material for isolation and purification workflows in natural product research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 156.11
    methanol 189.17
    isopropanol 145.93
    water 0.23
    ethyl acetate 174.2
    n-propanol 154.52
    acetone 181.33
    n-butanol 154.7
    acetonitrile 128.84
    DMF 205.83
    toluene 190.84
    isobutanol 123.74
    1,4-dioxane 371.26
    methyl acetate 185.54
    THF 423.74
    2-butanone 225.12
    n-pentanol 110.19
    sec-butanol 126.56
    n-hexane 2.44
    ethylene glycol 34.13
    NMP 169.85
    cyclohexane 12.14
    DMSO 155.84
    n-butyl acetate 145.67
    n-octanol 48.41
    chloroform 682.08
    n-propyl acetate 141.1
    acetic acid 142.1
    dichloromethane 505.05
    cyclohexanone 285.2
    propylene glycol 47.65
    isopropyl acetate 140.07
    DMAc 248.83
    2-ethoxyethanol 198.1
    isopentanol 169.17
    n-heptane 2.74
    ethyl formate 121.13
    1,2-dichloroethane 230.82
    n-hexanol 109.59
    2-methoxyethanol 282.68
    isobutyl acetate 119.56
    tetrachloromethane 51.41
    n-pentyl acetate 98.98
    transcutol 669.77
    n-heptanol 55.2
    ethylbenzene 78.26
    MIBK 138.98
    2-propoxyethanol 232.51
    tert-butanol 144.53
    MTBE 120.62
    2-butoxyethanol 143.28
    propionic acid 104.31
    o-xylene 91.88
    formic acid 65.6
    diethyl ether 113.62
    m-xylene 110.56
    p-xylene 107.6
    chlorobenzene 187.75
    dimethyl carbonate 80.57
    n-octane 1.73
    formamide 122.53
    cyclopentanone 276.82
    2-pentanone 167.01
    anisole 168.41
    cyclopentyl methyl ether 150.43
    gamma-butyrolactone 255.76
    1-methoxy-2-propanol 215.66
    pyridine 345.16
    3-pentanone 118.7
    furfural 279.36
    n-dodecane 2.72
    diethylene glycol 185.81
    diisopropyl ether 42.41
    tert-amyl alcohol 110.88
    acetylacetone 202.44
    n-hexadecane 3.26
    acetophenone 171.22
    methyl propionate 131.92
    isopentyl acetate 160.64
    trichloroethylene 525.48
    n-nonanol 49.49
    cyclohexanol 133.54
    benzyl alcohol 174.73
    2-ethylhexanol 62.31
    isooctanol 53.35
    dipropyl ether 45.47
    1,2-dichlorobenzene 155.85
    ethyl lactate 72.96
    propylene carbonate 168.41
    n-methylformamide 116.63
    2-pentanol 99.36
    n-pentane 4.45
    1-propoxy-2-propanol 135.85
    1-methoxy-2-propyl acetate 178.83
    2-(2-methoxypropoxy) propanol 164.27
    mesitylene 57.61
    ε-caprolactone 239.56
    p-cymene 43.64
    epichlorohydrin 378.37
    1,1,1-trichloroethane 192.11
    2-aminoethanol 78.18
    morpholine-4-carbaldehyde 272.24
    sulfolane 196.98
    2,2,4-trimethylpentane 5.14
    2-methyltetrahydrofuran 251.52
    n-hexyl acetate 125.07
    isooctane 5.04
    2-(2-butoxyethoxy)ethanol 220.78
    sec-butyl acetate 117.36
    tert-butyl acetate 129.22
    decalin 9.21
    glycerin 75.02
    diglyme 385.28
    acrylic acid 92.63
    isopropyl myristate 54.56
    n-butyric acid 161.02
    acetyl acetate 131.85
    di(2-ethylhexyl) phthalate 72.04
    ethyl propionate 106.42
    nitromethane 193.55
    1,2-diethoxyethane 187.56
    benzonitrile 190.58
    trioctyl phosphate 43.73
    1-bromopropane 121.8
    gamma-valerolactone 367.84
    n-decanol 37.78
    triethyl phosphate 56.92
    4-methyl-2-pentanol 81.85
    propionitrile 136.8
    vinylene carbonate 175.36
    1,1,2-trichlorotrifluoroethane 228.28
    DMS 129.99
    cumene 52.85
    2-octanol 38.23
    2-hexanone 138.81
    octyl acetate 66.21
    limonene 48.74
    1,2-dimethoxyethane 325.12
    ethyl orthosilicate 55.47
    tributyl phosphate 55.53
    diacetone alcohol 143.99
    N,N-dimethylaniline 99.04
    acrylonitrile 163.46
    aniline 187.33
    1,3-propanediol 141.6
    bromobenzene 203.01
    dibromomethane 291.06
    1,1,2,2-tetrachloroethane 367.01
    2-methyl-cyclohexyl acetate 104.56
    tetrabutyl urea 66.41
    diisobutyl methanol 43.33
    2-phenylethanol 158.61
    styrene 99.32
    dioctyl adipate 82.7
    dimethyl sulfate 88.52
    ethyl butyrate 100.85
    methyl lactate 80.66
    butyl lactate 87.98
    diethyl carbonate 78.48
    propanediol butyl ether 129.87
    triethyl orthoformate 75.81
    p-tert-butyltoluene 39.02
    methyl 4-tert-butylbenzoate 110.31
    morpholine 359.14
    tert-butylamine 76.59
    n-dodecanol 29.11
    dimethoxymethane 219.11
    ethylene carbonate 151.3
    cyrene 150.68
    2-ethoxyethyl acetate 174.11
    2-ethylhexyl acetate 118.66
    1,2,4-trichlorobenzene 197.14
    4-methylpyridine 332.35
    dibutyl ether 52.45
    2,6-dimethyl-4-heptanol 43.33
    DEF 149.39
    dimethyl isosorbide 223.02
    tetrachloroethylene 222.77
    eugenol 128.21
    triacetin 142.54
    span 80 115.21
    1,4-butanediol 61.45
    1,1-dichloroethane 238.35
    2-methyl-1-pentanol 121.03
    methyl formate 90.48
    2-methyl-1-butanol 135.4
    n-decane 3.92
    butyronitrile 153.83
    3,7-dimethyl-1-octanol 68.23
    1-chlorooctane 25.43
    1-chlorotetradecane 12.28
    n-nonane 2.78
    undecane 3.15
    tert-butylcyclohexane 7.15
    cyclooctane 4.4
    cyclopentanol 119.26
    tetrahydropyran 264.02
    tert-amyl methyl ether 88.05
    2,5,8-trioxanonane 259.94
    1-hexene 21.02
    2-isopropoxyethanol 158.88
    2,2,2-trifluoroethanol 56.73
    methyl butyrate 142.25

    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