Panaxytriol

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  • Identifiers

    CAS number
    87005-03-6

    Molecular formula
    C17H26O3

    SMILES
    CCCCCCCC(C(CC#CC#CC(C=C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 37.92%
    Metallic 23.9%
    Oily 23.82%
    Citrus 23.69%
    Odorless 23.59%
    Fresh 23.21%
    Spicy 23.0%
    Savory 21.01%
    Milky 20.05%
    Herbal 19.95%

     

    Flavor
    Bitter 72.95%
    Odorless 36.73%
    Bland 30.78%
    Mild 21.41%
    Sweet-like 20.8%
    Nitrile 19.83%
    Cedarleaf 19.49%
    Oriental 18.53%
    Yeasty 17.97%
    Parsley 17.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.53 (neutral)

    Molecular weight
    278.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    299°C

    Flash point

    • 195.8 ˚C est.

  • Synonyms

    • Panaxytriol
    • 1-Heptadecene-4,6-diyne-3,9,10-triol
    • heptadec-1-en-4,6-diyne-3,9,10-triol
    • 87005-03-6
    • 1-heptadecen-4,6-diyn-3,9,10-triol
    • DTXSID101007256
    • RefChem:169831
    • DTXCID301434114
    • heptadeca-1-en-4,6-diyn-3,9,10-triol
    • C17H26O3
    • (3R,9R,10R)-(-)-Panaxytriol
    • Falcarintriol
    • polyacetylene PQ-1
    • polyacetylenic alcohol
    • SCHEMBL29767006
    • MDA00503
    • LMFA05000027
    • heptadec-1-ene-4,6-diyne-3,9,10-triol
    • heptadeca-1-ene-4,6-diyne-3,9,10-triol
    • 87005-03-6

  • Applications

    Panaxytriol (CAS 87005-03-6) is primarily used as a chemical intermediate and building block in synthetic organic chemistry, particularly for constructing panax-related triterpenoid frameworks; it can also serve as a reference material or analytical standard in quality control of Panax-derived natural products. In cosmetics and personal care research, it may be evaluated as a naturally derived polyol component or formulation additive in experimental cosmetic systems. In polymer and coatings applications, its triol functionality makes it a potential crosslinking component or polymer-building block for specialty resin systems. In pharmaceutical and medicinal chemistry research, panaxytriol may be explored as a scaffold or intermediate for the synthesis of derivative compounds. These uses are illustrative and contingent on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 704.08
    methanol 1596.36
    isopropanol 293.7
    water 0.25
    ethyl acetate 605.22
    n-propanol 321.91
    acetone 778.04
    n-butanol 255.98
    acetonitrile 135.98
    DMF 564.15
    toluene 28.26
    isobutanol 169.22
    1,4-dioxane 308.31
    methyl acetate 279.13
    THF 893.95
    2-butanone 363.77
    n-pentanol 172.15
    sec-butanol 180.81
    n-hexane 3.73
    ethylene glycol 89.93
    NMP 295.34
    cyclohexane 9.31
    DMSO 1937.22
    n-butyl acetate 222.19
    n-octanol 60.92
    chloroform 89.79
    n-propyl acetate 252.56
    acetic acid 512.42
    dichloromethane 119.02
    cyclohexanone 417.72
    propylene glycol 155.77
    isopropyl acetate 319.97
    DMAc 512.35
    2-ethoxyethanol 524.94
    isopentanol 218.37
    n-heptane 5.18
    ethyl formate 185.98
    1,2-dichloroethane 151.04
    n-hexanol 149.21
    2-methoxyethanol 965.9
    isobutyl acetate 144.0
    tetrachloromethane 15.88
    n-pentyl acetate 135.63
    transcutol 1324.98
    n-heptanol 71.82
    ethylbenzene 21.5
    MIBK 255.95
    2-propoxyethanol 377.05
    tert-butanol 371.6
    MTBE 209.69
    2-butoxyethanol 210.85
    propionic acid 229.48
    o-xylene 27.02
    formic acid 233.83
    diethyl ether 198.22
    m-xylene 33.27
    p-xylene 26.35
    chlorobenzene 42.01
    dimethyl carbonate 102.25
    n-octane 3.05
    formamide 435.52
    cyclopentanone 567.93
    2-pentanone 481.96
    anisole 80.63
    cyclopentyl methyl ether 266.09
    gamma-butyrolactone 504.53
    1-methoxy-2-propanol 677.19
    pyridine 135.71
    3-pentanone 201.7
    furfural 324.25
    n-dodecane 2.73
    diethylene glycol 337.18
    diisopropyl ether 53.86
    tert-amyl alcohol 231.97
    acetylacetone 624.52
    n-hexadecane 3.06
    acetophenone 118.14
    methyl propionate 329.32
    isopentyl acetate 191.25
    trichloroethylene 245.18
    n-nonanol 56.74
    cyclohexanol 168.8
    benzyl alcohol 93.31
    2-ethylhexanol 76.8
    isooctanol 64.25
    dipropyl ether 91.97
    1,2-dichlorobenzene 47.81
    ethyl lactate 116.0
    propylene carbonate 244.69
    n-methylformamide 346.29
    2-pentanol 165.43
    n-pentane 3.16
    1-propoxy-2-propanol 283.04
    1-methoxy-2-propyl acetate 285.78
    2-(2-methoxypropoxy) propanol 166.63
    mesitylene 24.34
    ε-caprolactone 343.8
    p-cymene 21.42
    epichlorohydrin 502.83
    1,1,1-trichloroethane 84.53
    2-aminoethanol 227.53
    morpholine-4-carbaldehyde 374.91
    sulfolane 678.29
    2,2,4-trimethylpentane 4.83
    2-methyltetrahydrofuran 373.76
    n-hexyl acetate 149.05
    isooctane 4.77
    2-(2-butoxyethoxy)ethanol 281.54
    sec-butyl acetate 156.15
    tert-butyl acetate 326.57
    decalin 6.3
    glycerin 219.63
    diglyme 574.94
    acrylic acid 153.6
    isopropyl myristate 50.87
    n-butyric acid 481.71
    acetyl acetate 250.79
    di(2-ethylhexyl) phthalate 50.06
    ethyl propionate 171.37
    nitromethane 889.69
    1,2-diethoxyethane 299.79
    benzonitrile 76.44
    trioctyl phosphate 41.66
    1-bromopropane 46.87
    gamma-valerolactone 672.13
    n-decanol 40.41
    triethyl phosphate 58.32
    4-methyl-2-pentanol 98.83
    propionitrile 81.51
    vinylene carbonate 167.98
    1,1,2-trichlorotrifluoroethane 355.81
    DMS 122.21
    cumene 19.39
    2-octanol 44.56
    2-hexanone 200.69
    octyl acetate 63.66
    limonene 36.02
    1,2-dimethoxyethane 528.22
    ethyl orthosilicate 58.72
    tributyl phosphate 54.82
    diacetone alcohol 417.19
    N,N-dimethylaniline 56.7
    acrylonitrile 106.18
    aniline 62.92
    1,3-propanediol 418.17
    bromobenzene 35.85
    dibromomethane 66.04
    1,1,2,2-tetrachloroethane 199.83
    2-methyl-cyclohexyl acetate 110.27
    tetrabutyl urea 76.29
    diisobutyl methanol 52.69
    2-phenylethanol 89.94
    styrene 23.82
    dioctyl adipate 88.43
    dimethyl sulfate 198.18
    ethyl butyrate 157.13
    methyl lactate 179.4
    butyl lactate 141.37
    diethyl carbonate 85.09
    propanediol butyl ether 207.63
    triethyl orthoformate 97.18
    p-tert-butyltoluene 23.0
    methyl 4-tert-butylbenzoate 114.23
    morpholine 479.37
    tert-butylamine 114.7
    n-dodecanol 29.89
    dimethoxymethane 506.08
    ethylene carbonate 163.68
    cyrene 155.26
    2-ethoxyethyl acetate 240.6
    2-ethylhexyl acetate 122.61
    1,2,4-trichlorobenzene 61.56
    4-methylpyridine 120.64
    dibutyl ether 77.45
    2,6-dimethyl-4-heptanol 52.69
    DEF 335.39
    dimethyl isosorbide 267.05
    tetrachloroethylene 137.2
    eugenol 115.54
    triacetin 183.8
    span 80 140.95
    1,4-butanediol 125.89
    1,1-dichloroethane 87.66
    2-methyl-1-pentanol 140.17
    methyl formate 238.35
    2-methyl-1-butanol 160.98
    n-decane 4.67
    butyronitrile 116.46
    3,7-dimethyl-1-octanol 71.22
    1-chlorooctane 26.66
    1-chlorotetradecane 9.95
    n-nonane 4.0
    undecane 3.37
    tert-butylcyclohexane 6.42
    cyclooctane 3.69
    cyclopentanol 176.43
    tetrahydropyran 323.44
    tert-amyl methyl ether 130.27
    2,5,8-trioxanonane 334.25
    1-hexene 22.72
    2-isopropoxyethanol 287.25
    2,2,2-trifluoroethanol 111.03
    methyl butyrate 267.59

    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