Panaxydol

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  • Identifiers

    CAS number
    72800-72-7

    Molecular formula
    C17H24O2

    SMILES
    CCCCCCC[C@H]1[C@H](O1)CC#CC#C[C@@H](C=C)O

    Safety labels

  • Odor profile

    Fragrance
    Citrus 31.64%
    Sweet 30.01%
    Floral 29.96%
    Metallic 27.07%
    Fresh 26.1%
    Meaty 22.68%
    Waxy 21.89%
    Spicy 21.87%
    Green 20.92%
    Aldehydic 20.48%

     

    Flavor
    Bitter 74.72%
    Bland 27.48%
    Odorless 23.91%
    Nitrile 19.68%
    Cedarleaf 19.48%
    Oriental 18.37%
    Sweet-like 18.24%
    Lovage 17.74%
    Parsley 17.52%
    Gooseberry 17.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    5.31 (weak acid)

    Molecular weight
    260.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    321°C

    Flash point

    • 161.39 ˚C est.

  • Synonyms

    • Panaxydol
    • 72800-72-7
    • Panaxydol, (-)-
    • P3VHC8ZL8G
    • DTXSID10415267
    • RefChem:169829
    • DTXCID00366118
    • 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-ol
    • 9,10-epoxy-1-heptadecen-4,6-diyn-3-ol
    • (3R)-8-[(2R,3S)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-ol
    • (3r)-8-[(2r,3s)-3-heptyloxiran-2-yl]oct-1-ene-4,6-diyn-3-ol
    • (R)-8-((2R,3S)-3-Heptyloxiran-2-yl)octa-1-en-4,6-diyn-3-ol
    • DTXSID40993604
    • 8-(3-Heptyloxiran-2-yl)oct-1-ene-4,6-diyn-3-ol
    • (3R,9R,10S)-9,10-Epoxy-1-heptadecene-4,6-diyn-3-ol
    • orb1684340
    • (3R, 9R, 10S)-panaxydol
    • 1-Octene-4,6-diyn-3-ol, 8-[(2R,3S)-3-heptyl-2-oxiranyl]-, (3R)-
    • 1-Octene-4,6-diyn-3-ol, 8-[(2R,3S)-3-heptyloxiranyl]-, (3R)-
    • CHEBI:66723
    • HY-N1456
    • MSK177301
    • AKOS040760615
    • DA-56578
    • CS-0016902
    • 1-Octene-4,6-diyn-3-ol, 8-(3-heptyloxiranyl)-
    • Q27135345
    • (3R)-8-[(2R,3S)-3-Heptyl-2-oxiranyl]-1-octene-4,6-diyn-3-ol
    • 1-Octene-4,6-diyn-3-ol, 8-(3-heptyloxiranyl)-, [2R-[2alpha(R*),3alpha]]-
    • 72800-72-7

  • Applications

    Panaxydol (CAS 72800-72-7) is a natural polyacetylene isolated from Panax species and is primarily encountered in research contexts. In industry, it is typically regarded as a lead compound or scaffold for pharmacological studies and drug development, and it is also used as an analytical reference material and a starting point for purification workflows, identity verification, and quality control of Panax extracts. Additionally, Panaxydol has been investigated for reported biological activities and may serve as a scaffold for synthetic modifications to explore structure-activity relationships. The primary application areas are pharmaceutical research, natural product chemistry, and quality assessment/standardization within Panax extract manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1192.61
    methanol 1175.96
    isopropanol 591.38
    water 0.02
    ethyl acetate 1282.3
    n-propanol 645.86
    acetone 1191.54
    n-butanol 528.77
    acetonitrile 457.96
    DMF 372.87
    toluene 126.17
    isobutanol 324.38
    1,4-dioxane 798.78
    methyl acetate 680.49
    THF 1752.39
    2-butanone 881.06
    n-pentanol 373.84
    sec-butanol 396.73
    n-hexane 17.17
    ethylene glycol 75.79
    NMP 204.31
    cyclohexane 34.87
    DMSO 1253.43
    n-butyl acetate 572.05
    n-octanol 83.6
    chloroform 868.28
    n-propyl acetate 620.51
    acetic acid 546.02
    dichloromethane 1131.39
    cyclohexanone 740.93
    propylene glycol 170.85
    isopropyl acetate 688.48
    DMAc 457.1
    2-ethoxyethanol 812.31
    isopentanol 399.28
    n-heptane 14.81
    ethyl formate 357.7
    1,2-dichloroethane 809.72
    n-hexanol 276.11
    2-methoxyethanol 1151.79
    isobutyl acetate 366.71
    tetrachloromethane 79.62
    n-pentyl acetate 266.27
    transcutol 2048.53
    n-heptanol 89.93
    ethylbenzene 70.55
    MIBK 469.16
    2-propoxyethanol 654.74
    tert-butanol 503.96
    MTBE 562.69
    2-butoxyethanol 271.97
    propionic acid 334.05
    o-xylene 66.44
    formic acid 138.91
    diethyl ether 876.27
    m-xylene 82.78
    p-xylene 82.07
    chlorobenzene 189.09
    dimethyl carbonate 147.14
    n-octane 6.44
    formamide 271.16
    cyclopentanone 747.84
    2-pentanone 900.22
    anisole 230.71
    cyclopentyl methyl ether 477.68
    gamma-butyrolactone 666.82
    1-methoxy-2-propanol 804.96
    pyridine 448.87
    3-pentanone 423.0
    furfural 436.9
    n-dodecane 6.03
    diethylene glycol 442.31
    diisopropyl ether 175.74
    tert-amyl alcohol 335.61
    acetylacetone 899.99
    n-hexadecane 7.08
    acetophenone 249.94
    methyl propionate 571.74
    isopentyl acetate 464.63
    trichloroethylene 1074.4
    n-nonanol 78.27
    cyclohexanol 288.21
    benzyl alcohol 202.12
    2-ethylhexanol 138.68
    isooctanol 86.65
    dipropyl ether 252.76
    1,2-dichlorobenzene 168.1
    ethyl lactate 191.25
    propylene carbonate 370.14
    n-methylformamide 298.34
    2-pentanol 338.02
    n-pentane 15.8
    1-propoxy-2-propanol 437.91
    1-methoxy-2-propyl acetate 582.33
    2-(2-methoxypropoxy) propanol 251.76
    mesitylene 54.31
    ε-caprolactone 609.47
    p-cymene 53.07
    epichlorohydrin 1199.83
    1,1,1-trichloroethane 439.66
    2-aminoethanol 237.32
    morpholine-4-carbaldehyde 434.81
    sulfolane 590.3
    2,2,4-trimethylpentane 14.06
    2-methyltetrahydrofuran 861.96
    n-hexyl acetate 279.1
    isooctane 14.83
    2-(2-butoxyethoxy)ethanol 382.6
    sec-butyl acetate 388.19
    tert-butyl acetate 587.83
    decalin 18.76
    glycerin 175.93
    diglyme 838.99
    acrylic acid 207.17
    isopropyl myristate 100.05
    n-butyric acid 684.07
    acetyl acetate 500.88
    di(2-ethylhexyl) phthalate 80.29
    ethyl propionate 401.8
    nitromethane 944.76
    1,2-diethoxyethane 727.04
    benzonitrile 206.23
    trioctyl phosphate 57.96
    1-bromopropane 431.74
    gamma-valerolactone 972.04
    n-decanol 55.3
    triethyl phosphate 118.69
    4-methyl-2-pentanol 189.09
    propionitrile 342.47
    vinylene carbonate 290.87
    1,1,2-trichlorotrifluoroethane 581.57
    DMS 246.85
    cumene 52.04
    2-octanol 64.87
    2-hexanone 506.56
    octyl acetate 111.77
    limonene 84.73
    1,2-dimethoxyethane 994.9
    ethyl orthosilicate 119.43
    tributyl phosphate 84.82
    diacetone alcohol 551.1
    N,N-dimethylaniline 116.92
    acrylonitrile 332.22
    aniline 177.11
    1,3-propanediol 449.99
    bromobenzene 201.06
    dibromomethane 646.06
    1,1,2,2-tetrachloroethane 822.55
    2-methyl-cyclohexyl acetate 215.99
    tetrabutyl urea 101.6
    diisobutyl methanol 101.5
    2-phenylethanol 194.07
    styrene 93.5
    dioctyl adipate 143.72
    dimethyl sulfate 187.22
    ethyl butyrate 366.24
    methyl lactate 199.88
    butyl lactate 190.3
    diethyl carbonate 209.51
    propanediol butyl ether 231.58
    triethyl orthoformate 224.67
    p-tert-butyltoluene 51.49
    methyl 4-tert-butylbenzoate 157.88
    morpholine 1086.48
    tert-butylamine 221.94
    n-dodecanol 41.42
    dimethoxymethane 669.93
    ethylene carbonate 286.71
    cyrene 201.87
    2-ethoxyethyl acetate 498.55
    2-ethylhexyl acetate 313.26
    1,2,4-trichlorobenzene 198.17
    4-methylpyridine 357.99
    dibutyl ether 188.68
    2,6-dimethyl-4-heptanol 101.5
    DEF 472.79
    dimethyl isosorbide 373.2
    tetrachloroethylene 460.09
    eugenol 160.22
    triacetin 302.25
    span 80 185.4
    1,4-butanediol 172.27
    1,1-dichloroethane 676.12
    2-methyl-1-pentanol 287.81
    methyl formate 194.57
    2-methyl-1-butanol 312.92
    n-decane 10.68
    butyronitrile 439.69
    3,7-dimethyl-1-octanol 115.33
    1-chlorooctane 62.52
    1-chlorotetradecane 22.84
    n-nonane 9.46
    undecane 7.67
    tert-butylcyclohexane 18.24
    cyclooctane 9.76
    cyclopentanol 271.5
    tetrahydropyran 1019.77
    tert-amyl methyl ether 300.92
    2,5,8-trioxanonane 457.26
    1-hexene 113.79
    2-isopropoxyethanol 489.41
    2,2,2-trifluoroethanol 115.01
    methyl butyrate 537.8

    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