(9R,10R)-9,10-Dihydroxy-4,6-heptadecadiyn-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    106828-96-0

    Molecular formula
    C17H26O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 34.26%
    Fresh 24.17%
    Oily 23.85%
    Lactonic 23.68%
    Floral 23.62%
    Citrus 23.19%
    Milky 23.1%
    Odorless 22.75%
    Metallic 21.25%
    Woody 20.57%

     

    Flavor
    Bitter 67.83%
    Odorless 37.15%
    Bland 33.86%
    Mild 21.99%
    Sweet-like 20.11%
    Cedarleaf 19.65%
    Nitrile 19.23%
    Parsley 18.39%
    Lovage 18.14%
    Oriental 17.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.53 (neutral)

    Molecular weight
    278.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    87°C

    Flash point

    • 184.76 ˚C est.

  • Synonyms

    • Panaxacol
    • (9R,10R)-9,10-dihydroxyheptadeca-4,6-diyn-3-one
    • 106828-96-0
    • DTXSID70147794
    • RefChem:906314
    • DTXCID0070285
    • (9R,10R)-9,10-Dihydroxy-4,6-heptadecadiyn-3-one
    • CHEBI:174659
    • 9,10-Dihydroxyheptadeca-4,6-diyn-3-one
    • 4,6-Heptadecadiyn-3-one, 9,10-dihydroxy-, (R-(R*,R*))-
    • 106828-96-0

  • Applications

    It is a useful organic synthesis intermediate with potential applications in polymers/plastics, coatings/inks, and adhesives; it can serve as a crosslinking agent for polymers and coatings due to its diol functionality and conjugated diyn system; it can be used as a building block in organic synthesis to prepare more complex intermediates; it may have potential for use in electronics or functional polymer materials under appropriate regulatory controls; in industrial manufacturing, its use will depend on formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1259.11
    methanol 3269.42
    isopropanol 598.66
    water 0.45
    ethyl acetate 1140.65
    n-propanol 611.59
    acetone 1763.32
    n-butanol 464.35
    acetonitrile 575.88
    DMF 1280.68
    toluene 66.86
    isobutanol 350.63
    1,4-dioxane 737.89
    methyl acetate 648.98
    THF 1091.75
    2-butanone 736.26
    n-pentanol 310.34
    sec-butanol 340.71
    n-hexane 6.31
    ethylene glycol 161.89
    NMP 590.31
    cyclohexane 18.13
    DMSO 3078.38
    n-butyl acetate 446.95
    n-octanol 97.88
    chloroform 418.73
    n-propyl acetate 583.11
    acetic acid 968.32
    dichloromethane 554.31
    cyclohexanone 871.75
    propylene glycol 239.33
    isopropyl acetate 582.26
    DMAc 905.82
    2-ethoxyethanol 799.17
    isopentanol 386.35
    n-heptane 5.52
    ethyl formate 427.96
    1,2-dichloroethane 529.91
    n-hexanol 223.78
    2-methoxyethanol 1420.54
    isobutyl acetate 297.77
    tetrachloromethane 51.94
    n-pentyl acetate 286.95
    transcutol 2358.64
    n-heptanol 104.35
    ethylbenzene 52.22
    MIBK 377.9
    2-propoxyethanol 542.69
    tert-butanol 699.49
    MTBE 453.57
    2-butoxyethanol 326.63
    propionic acid 467.41
    o-xylene 58.76
    formic acid 451.45
    diethyl ether 441.17
    m-xylene 62.62
    p-xylene 67.14
    chlorobenzene 124.23
    dimethyl carbonate 189.69
    n-octane 4.14
    formamide 925.11
    cyclopentanone 953.69
    2-pentanone 785.83
    anisole 176.48
    cyclopentyl methyl ether 387.59
    gamma-butyrolactone 926.09
    1-methoxy-2-propanol 917.79
    pyridine 365.2
    3-pentanone 369.32
    furfural 659.58
    n-dodecane 4.31
    diethylene glycol 503.67
    diisopropyl ether 87.36
    tert-amyl alcohol 442.18
    acetylacetone 1053.8
    n-hexadecane 4.92
    acetophenone 238.85
    methyl propionate 573.86
    isopentyl acetate 354.65
    trichloroethylene 793.85
    n-nonanol 85.41
    cyclohexanol 323.94
    benzyl alcohol 185.31
    2-ethylhexanol 114.02
    isooctanol 93.18
    dipropyl ether 137.72
    1,2-dichlorobenzene 134.0
    ethyl lactate 198.74
    propylene carbonate 454.84
    n-methylformamide 777.59
    2-pentanol 281.41
    n-pentane 4.41
    1-propoxy-2-propanol 392.05
    1-methoxy-2-propyl acetate 442.76
    2-(2-methoxypropoxy) propanol 258.27
    mesitylene 44.39
    ε-caprolactone 700.66
    p-cymene 38.59
    epichlorohydrin 961.54
    1,1,1-trichloroethane 264.59
    2-aminoethanol 406.79
    morpholine-4-carbaldehyde 708.62
    sulfolane 1093.04
    2,2,4-trimethylpentane 7.54
    2-methyltetrahydrofuran 548.1
    n-hexyl acetate 298.35
    isooctane 6.18
    2-(2-butoxyethoxy)ethanol 430.83
    sec-butyl acetate 307.31
    tert-butyl acetate 515.79
    decalin 12.06
    glycerin 332.01
    diglyme 985.11
    acrylic acid 319.64
    isopropyl myristate 85.21
    n-butyric acid 892.24
    acetyl acetate 506.85
    di(2-ethylhexyl) phthalate 87.58
    ethyl propionate 379.44
    nitromethane 2075.81
    1,2-diethoxyethane 517.13
    benzonitrile 197.41
    trioctyl phosphate 66.8
    1-bromopropane 154.26
    gamma-valerolactone 1223.3
    n-decanol 58.8
    triethyl phosphate 99.19
    4-methyl-2-pentanol 142.67
    propionitrile 282.19
    vinylene carbonate 374.73
    1,1,2-trichlorotrifluoroethane 670.0
    DMS 243.4
    cumene 41.25
    2-octanol 73.52
    2-hexanone 408.06
    octyl acetate 111.72
    limonene 63.06
    1,2-dimethoxyethane 1019.26
    ethyl orthosilicate 97.79
    tributyl phosphate 94.68
    diacetone alcohol 588.79
    N,N-dimethylaniline 111.13
    acrylonitrile 350.05
    aniline 140.72
    1,3-propanediol 652.95
    bromobenzene 113.96
    dibromomethane 282.32
    1,1,2,2-tetrachloroethane 601.14
    2-methyl-cyclohexyl acetate 178.41
    tetrabutyl urea 122.47
    diisobutyl methanol 74.66
    2-phenylethanol 161.9
    styrene 66.14
    dioctyl adipate 156.35
    dimethyl sulfate 333.79
    ethyl butyrate 274.05
    methyl lactate 286.08
    butyl lactate 247.1
    diethyl carbonate 159.14
    propanediol butyl ether 339.92
    triethyl orthoformate 166.82
    p-tert-butyltoluene 38.22
    methyl 4-tert-butylbenzoate 201.15
    morpholine 1020.2
    tert-butylamine 235.11
    n-dodecanol 43.25
    dimethoxymethane 800.03
    ethylene carbonate 367.92
    cyrene 238.67
    2-ethoxyethyl acetate 476.45
    2-ethylhexyl acetate 230.25
    1,2,4-trichlorobenzene 158.9
    4-methylpyridine 311.47
    dibutyl ether 150.59
    2,6-dimethyl-4-heptanol 74.66
    DEF 652.03
    dimethyl isosorbide 396.69
    tetrachloroethylene 416.04
    eugenol 206.1
    triacetin 352.42
    span 80 218.44
    1,4-butanediol 220.89
    1,1-dichloroethane 331.0
    2-methyl-1-pentanol 240.85
    methyl formate 494.5
    2-methyl-1-butanol 299.21
    n-decane 7.62
    butyronitrile 338.29
    3,7-dimethyl-1-octanol 105.01
    1-chlorooctane 51.91
    1-chlorotetradecane 17.2
    n-nonane 6.6
    undecane 5.39
    tert-butylcyclohexane 11.48
    cyclooctane 4.54
    cyclopentanol 299.47
    tetrahydropyran 674.93
    tert-amyl methyl ether 238.68
    2,5,8-trioxanonane 532.64
    1-hexene 51.22
    2-isopropoxyethanol 443.19
    2,2,2-trifluoroethanol 258.41
    methyl butyrate 592.02

    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