Panaquinquecol 1

Overview IFRA Request a quote

  • Identifiers

    CAS number
    133921-57-0

    Molecular formula
    C18H28O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 37.27%
    Fresh 25.7%
    Citrus 25.56%
    Floral 25.41%
    Metallic 22.76%
    Woody 22.47%
    Oily 22.07%
    Spicy 22.02%
    Waxy 20.62%
    Grapefruit 19.97%

     

    Flavor
    Bitter 69.3%
    Odorless 31.75%
    Bland 30.08%
    Mild 20.9%
    Sweet-like 20.0%
    Nitrile 19.75%
    Cedarleaf 19.58%
    Oriental 18.51%
    Yeasty 18.21%
    Parsley 18.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    5.99 (weak acid)

    Molecular weight
    292.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    314°C

    Flash point

    • 180.6 ˚C est.

  • Synonyms

    • Panaquinquecol 1
    • 10-methoxyheptadec-1-en-4,6-diyne-3,9-diol
    • 133921-57-0
    • 1-Heptadecene-4,6-diyne-3,9-diol, 10-methoxy-
    • PQ 1
    • SCHEMBL27919483
    • DTXSID50415781
    • CHEBI:142269
    • LMFA05000686
    • 10-Methoxyheptadec-1-ene-4,6-diyne-3,9-diol
    • 10-Methoxy-1-heptadecene-4,6-diyne-3,9-diol, 9CI
    • 133921-57-0

  • Applications

    Panaquinquecol 1 (CAS 133921-57-0) may be used as an intermediate in organic synthesis for specialty chemicals; as a solvent or processing aid in coatings, inks, and adhesives; as a plasticizer or stabilizer in certain polymer formulations; as a fragrance component or odorant in perfumery and cosmetics; and in household cleaning formulations as a solvent or fragrance carrier, all subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1307.78
    methanol 2810.74
    isopropanol 588.56
    water 0.26
    ethyl acetate 1420.58
    n-propanol 681.09
    acetone 1499.36
    n-butanol 525.41
    acetonitrile 471.33
    DMF 810.66
    toluene 94.22
    isobutanol 379.79
    1,4-dioxane 812.24
    methyl acetate 662.38
    THF 1462.39
    2-butanone 757.71
    n-pentanol 334.63
    sec-butanol 394.98
    n-hexane 9.78
    ethylene glycol 116.7
    NMP 460.48
    cyclohexane 42.43
    DMSO 2821.18
    n-butyl acetate 478.71
    n-octanol 98.46
    chloroform 517.6
    n-propyl acetate 572.98
    acetic acid 873.94
    dichloromethane 712.62
    cyclohexanone 949.03
    propylene glycol 197.97
    isopropyl acetate 646.51
    DMAc 682.07
    2-ethoxyethanol 819.55
    isopentanol 392.55
    n-heptane 12.68
    ethyl formate 444.63
    1,2-dichloroethane 638.27
    n-hexanol 256.46
    2-methoxyethanol 1415.62
    isobutyl acetate 291.38
    tetrachloromethane 78.35
    n-pentyl acetate 295.99
    transcutol 1966.77
    n-heptanol 111.78
    ethylbenzene 53.87
    MIBK 432.11
    2-propoxyethanol 570.28
    tert-butanol 650.77
    MTBE 472.31
    2-butoxyethanol 306.15
    propionic acid 440.79
    o-xylene 73.13
    formic acid 344.53
    diethyl ether 686.08
    m-xylene 81.04
    p-xylene 67.73
    chlorobenzene 150.66
    dimethyl carbonate 196.65
    n-octane 6.6
    formamide 592.78
    cyclopentanone 979.55
    2-pentanone 901.27
    anisole 170.07
    cyclopentyl methyl ether 565.73
    gamma-butyrolactone 943.75
    1-methoxy-2-propanol 890.17
    pyridine 370.47
    3-pentanone 440.01
    furfural 627.26
    n-dodecane 5.46
    diethylene glycol 459.03
    diisopropyl ether 133.18
    tert-amyl alcohol 416.7
    acetylacetone 997.46
    n-hexadecane 6.31
    acetophenone 230.31
    methyl propionate 656.95
    isopentyl acetate 369.99
    trichloroethylene 892.91
    n-nonanol 89.41
    cyclohexanol 420.21
    benzyl alcohol 178.27
    2-ethylhexanol 137.19
    isooctanol 100.74
    dipropyl ether 212.54
    1,2-dichlorobenzene 156.01
    ethyl lactate 200.13
    propylene carbonate 494.58
    n-methylformamide 558.33
    2-pentanol 328.79
    n-pentane 10.0
    1-propoxy-2-propanol 428.26
    1-methoxy-2-propyl acetate 492.81
    2-(2-methoxypropoxy) propanol 243.39
    mesitylene 58.63
    ε-caprolactone 763.97
    p-cymene 48.27
    epichlorohydrin 1105.72
    1,1,1-trichloroethane 359.08
    2-aminoethanol 332.25
    morpholine-4-carbaldehyde 610.56
    sulfolane 1075.74
    2,2,4-trimethylpentane 12.59
    2-methyltetrahydrofuran 769.15
    n-hexyl acetate 293.12
    isooctane 10.7
    2-(2-butoxyethoxy)ethanol 402.93
    sec-butyl acetate 325.25
    tert-butyl acetate 589.56
    decalin 17.23
    glycerin 254.91
    diglyme 871.93
    acrylic acid 271.55
    isopropyl myristate 91.37
    n-butyric acid 948.76
    acetyl acetate 599.86
    di(2-ethylhexyl) phthalate 84.02
    ethyl propionate 406.25
    nitromethane 1680.76
    1,2-diethoxyethane 570.44
    benzonitrile 178.25
    trioctyl phosphate 69.42
    1-bromopropane 223.68
    gamma-valerolactone 1199.59
    n-decanol 60.57
    triethyl phosphate 120.38
    4-methyl-2-pentanol 163.8
    propionitrile 257.88
    vinylene carbonate 369.52
    1,1,2-trichlorotrifluoroethane 682.21
    DMS 232.19
    cumene 44.27
    2-octanol 74.53
    2-hexanone 404.74
    octyl acetate 114.87
    limonene 87.16
    1,2-dimethoxyethane 966.92
    ethyl orthosilicate 119.6
    tributyl phosphate 97.32
    diacetone alcohol 582.35
    N,N-dimethylaniline 107.78
    acrylonitrile 279.98
    aniline 155.91
    1,3-propanediol 586.62
    bromobenzene 144.36
    dibromomethane 383.74
    1,1,2,2-tetrachloroethane 693.03
    2-methyl-cyclohexyl acetate 208.65
    tetrabutyl urea 122.1
    diisobutyl methanol 89.85
    2-phenylethanol 166.21
    styrene 64.86
    dioctyl adipate 155.87
    dimethyl sulfate 312.53
    ethyl butyrate 340.18
    methyl lactate 262.83
    butyl lactate 237.9
    diethyl carbonate 191.09
    propanediol butyl ether 277.61
    triethyl orthoformate 202.39
    p-tert-butyltoluene 48.0
    methyl 4-tert-butylbenzoate 193.6
    morpholine 1099.8
    tert-butylamine 237.07
    n-dodecanol 44.82
    dimethoxymethane 816.59
    ethylene carbonate 381.82
    cyrene 234.29
    2-ethoxyethyl acetate 465.38
    2-ethylhexyl acetate 254.44
    1,2,4-trichlorobenzene 181.14
    4-methylpyridine 305.41
    dibutyl ether 168.63
    2,6-dimethyl-4-heptanol 89.85
    DEF 642.51
    dimethyl isosorbide 419.89
    tetrachloroethylene 481.17
    eugenol 188.39
    triacetin 337.96
    span 80 211.84
    1,4-butanediol 198.74
    1,1-dichloroethane 423.96
    2-methyl-1-pentanol 255.77
    methyl formate 410.6
    2-methyl-1-butanol 326.54
    n-decane 10.35
    butyronitrile 347.54
    3,7-dimethyl-1-octanol 109.59
    1-chlorooctane 62.06
    1-chlorotetradecane 20.13
    n-nonane 9.21
    undecane 6.99
    tert-butylcyclohexane 15.14
    cyclooctane 10.92
    cyclopentanol 367.97
    tetrahydropyran 958.72
    tert-amyl methyl ether 274.76
    2,5,8-trioxanonane 504.78
    1-hexene 59.4
    2-isopropoxyethanol 434.15
    2,2,2-trifluoroethanol 220.02
    methyl butyrate 593.49

    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