Ecdysone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3604-87-3

    Molecular formula
    C27H44O6

    SMILES
    C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@@H](CCC(C)(C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 60.77%
    Odorless 36.07%
    Balsamic 35.98%
    Mint 35.66%
    Sweet 34.84%
    Cooling 34.15%
    Amber 32.85%
    Spicy 30.31%
    Camphoreous 29.37%
    Sandalwood 28.69%

     

    Flavor
    Bitter 61.13%
    Minty 30.67%
    Herbal 25.66%
    Odorless 22.93%
    Cedarleaf 22.67%
    Sweet-like 22.14%
    Fresh 22.14%
    Fatty 21.5%
    Patchouli 20.18%
    Pleasant 20.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.07 (neutral)

    Molecular weight
    464.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    224°C

    Flash point

    • 265.92 ˚C est.

  • Synonyms

    • ECDYSONE
    • (2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one
    • RH692X7B7B
    • CHEBI:16688
    • 2beta,3beta,14alpha,22R,25-pentahydroxy-5beta-cholest-7-en-6-one
    • (22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one
    • Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2beta,3beta,5beta,22R)-
    • (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
    • (2S,3R,5R,9R,10R,13R,14S,17R)-17-((2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-6-one
    • RefChem:136201
    • 222-760-4
    • 3604-87-3
    • alpha-Ecdysone
    • 5-beta-Cholest-7-en-6-one, 2-beta,3-beta,14,22,25-pentahydroxy-, (20S,22R)-
    • a-Ecdysone ( >90%)
    • Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2.beta.,3.beta.,5.beta.,22R)-
    • CCRIS 6931
    • EINECS 222-760-4
    • BRN 2422986
    • UNII-RH692X7B7B
    • (2ss,3ss,5ss,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one
    • AI3-44726
    • -Ecdysone
    • |_-Ecdysone
    • A-ECDYSONE
    • ECDYSONE [MI]
    • .ALPHA.-ECDYSONE
    • Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2b,3b,5b,22R)-
    • alpha-Ecdysone, >=90%
    • ECDYSONE, .ALPHA.-
    • SCHEMBL23780
    • 4-08-00-03613 (Beilstein Handbook Reference)
    • CHEMBL549300
    • BCBcMAP01_000123
    • GLXC-21718
    • HY-N0179
    • (22R)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one
    • alpha-Ecdysone, >=99.0% (UV)
    • HB3881
    • LMST01010210
    • AKOS015951280
    • CCG-208571
    • FE71507
    • Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2-beta,3-beta,5-beta,22R)-
    • SMP1_000109
    • CS-0007889
    • NS00029970
    • C00477
    • G12108
    • 604E873
    • Q139085
    • SR-05000002190
    • SR-05000002190-3
    • 2b,3b,14a,22(R),25-Pentahydroxy-7-cholesten-6-one
    • (2.BETA.,3.BETA.,5.BETA.,22R)-2,3,14,22,25-PENTAHYDROXYCHOLEST-7-EN-6-ONE
    • (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(1S,2R)-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
    • 3604-87-3

  • Applications

    Ecdysone (CAS 3604-87-3) is primarily used as a biochemical research tool to study EcR/USP receptor signaling in insects; it serves as a steroid scaffold or intermediate in chemical synthesis and as a reference standard for analytical methods measuring ecdysteroids in botanical and insect samples; it is studied as a lead compound for developing insect growth regulator (IGR) concepts in agriculture; in pharmaceutical and biomedical research, it provides a basis for SAR studies of ecdysteroids; and it may act as a precursor for the synthesis of phytoecdysteroids considered for cosmetic and personal care applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.83
    methanol 119.43
    isopropanol 7.36
    water 0.24
    ethyl acetate 4.56
    n-propanol 13.25
    acetone 26.06
    n-butanol 5.09
    acetonitrile 4.34
    DMF 150.2
    toluene 1.71
    isobutanol 4.2
    1,4-dioxane 49.78
    methyl acetate 5.49
    THF 149.76
    2-butanone 8.65
    n-pentanol 4.85
    sec-butanol 2.19
    n-hexane 0.13
    ethylene glycol 13.43
    NMP 48.63
    cyclohexane 0.16
    DMSO 157.05
    n-butyl acetate 3.48
    n-octanol 3.54
    chloroform 7.18
    n-propyl acetate 3.87
    acetic acid 39.27
    dichloromethane 5.55
    cyclohexanone 14.69
    propylene glycol 13.08
    isopropyl acetate 3.76
    DMAc 62.84
    2-ethoxyethanol 47.92
    isopentanol 2.87
    n-heptane 0.13
    ethyl formate 6.62
    1,2-dichloroethane 3.72
    n-hexanol 4.51
    2-methoxyethanol 112.52
    isobutyl acetate 2.77
    tetrachloromethane 1.09
    n-pentyl acetate 5.69
    transcutol 46.21
    n-heptanol 4.97
    ethylbenzene 1.17
    MIBK 4.7
    2-propoxyethanol 53.88
    tert-butanol 4.04
    MTBE 1.95
    2-butoxyethanol 28.3
    propionic acid 6.83
    o-xylene 1.04
    formic acid 39.47
    diethyl ether 4.2
    m-xylene 1.26
    p-xylene 1.36
    chlorobenzene 1.83
    dimethyl carbonate 9.78
    n-octane 0.1
    formamide 45.36
    cyclopentanone 36.85
    2-pentanone 6.59
    anisole 6.15
    cyclopentyl methyl ether 10.4
    gamma-butyrolactone 36.36
    1-methoxy-2-propanol 51.18
    pyridine 19.36
    3-pentanone 4.24
    furfural 30.03
    n-dodecane 0.06
    diethylene glycol 57.48
    diisopropyl ether 0.77
    tert-amyl alcohol 1.78
    acetylacetone 16.11
    n-hexadecane 0.07
    acetophenone 7.11
    methyl propionate 7.07
    isopentyl acetate 3.37
    trichloroethylene 9.01
    n-nonanol 3.87
    cyclohexanol 2.36
    benzyl alcohol 9.47
    2-ethylhexanol 1.6
    isooctanol 3.24
    dipropyl ether 3.1
    1,2-dichlorobenzene 1.8
    ethyl lactate 6.04
    propylene carbonate 9.65
    n-methylformamide 55.71
    2-pentanol 1.51
    n-pentane 0.1
    1-propoxy-2-propanol 20.74
    1-methoxy-2-propyl acetate 11.55
    2-(2-methoxypropoxy) propanol 15.3
    mesitylene 0.75
    ε-caprolactone 12.82
    p-cymene 0.77
    epichlorohydrin 42.47
    1,1,1-trichloroethane 1.79
    2-aminoethanol 31.1
    morpholine-4-carbaldehyde 92.28
    sulfolane 49.03
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 12.44
    n-hexyl acetate 6.69
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 27.25
    sec-butyl acetate 2.01
    tert-butyl acetate 4.53
    decalin 0.13
    glycerin 34.23
    diglyme 47.89
    acrylic acid 10.45
    isopropyl myristate 1.6
    n-butyric acid 7.89
    acetyl acetate 5.01
    di(2-ethylhexyl) phthalate 3.77
    ethyl propionate 3.08
    nitromethane 49.64
    1,2-diethoxyethane 8.99
    benzonitrile 4.49
    trioctyl phosphate 2.55
    1-bromopropane 1.15
    gamma-valerolactone 88.35
    n-decanol 2.11
    triethyl phosphate 2.11
    4-methyl-2-pentanol 1.38
    propionitrile 3.09
    vinylene carbonate 11.88
    1,1,2-trichlorotrifluoroethane 37.79
    DMS 5.62
    cumene 0.83
    2-octanol 2.02
    2-hexanone 5.0
    octyl acetate 2.98
    limonene 0.82
    1,2-dimethoxyethane 52.75
    ethyl orthosilicate 2.05
    tributyl phosphate 1.96
    diacetone alcohol 10.98
    N,N-dimethylaniline 4.68
    acrylonitrile 5.88
    aniline 4.25
    1,3-propanediol 31.25
    bromobenzene 1.39
    dibromomethane 2.66
    1,1,2,2-tetrachloroethane 6.78
    2-methyl-cyclohexyl acetate 3.62
    tetrabutyl urea 3.73
    diisobutyl methanol 0.95
    2-phenylethanol 8.95
    styrene 1.23
    dioctyl adipate 3.7
    dimethyl sulfate 18.02
    ethyl butyrate 2.76
    methyl lactate 14.19
    butyl lactate 8.09
    diethyl carbonate 1.91
    propanediol butyl ether 24.45
    triethyl orthoformate 3.26
    p-tert-butyltoluene 0.75
    methyl 4-tert-butylbenzoate 9.16
    morpholine 62.82
    tert-butylamine 1.1
    n-dodecanol 1.11
    dimethoxymethane 92.15
    ethylene carbonate 8.52
    cyrene 23.53
    2-ethoxyethyl acetate 13.34
    2-ethylhexyl acetate 2.42
    1,2,4-trichlorobenzene 2.68
    4-methylpyridine 9.64
    dibutyl ether 1.76
    2,6-dimethyl-4-heptanol 0.95
    DEF 10.53
    dimethyl isosorbide 25.29
    tetrachloroethylene 5.82
    eugenol 13.66
    triacetin 8.93
    span 80 13.3
    1,4-butanediol 11.87
    1,1-dichloroethane 1.95
    2-methyl-1-pentanol 2.4
    methyl formate 36.06
    2-methyl-1-butanol 2.18
    n-decane 0.15
    butyronitrile 2.71
    3,7-dimethyl-1-octanol 1.96
    1-chlorooctane 0.75
    1-chlorotetradecane 0.21
    n-nonane 0.13
    undecane 0.09
    tert-butylcyclohexane 0.1
    cyclooctane 0.08
    cyclopentanol 5.66
    tetrahydropyran 13.03
    tert-amyl methyl ether 1.43
    2,5,8-trioxanonane 28.38
    1-hexene 0.56
    2-isopropoxyethanol 18.75
    2,2,2-trifluoroethanol 11.49
    methyl butyrate 4.45

    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