1,8-Heptadecadiene-4,6-diyne-3,10-diol

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  • Identifiers

    CAS number
    63910-76-9

    Molecular formula
    C17H24O2

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 36.07%
    Green 32.37%
    Metallic 32.0%
    Spicy 28.75%
    Floral 28.18%
    Oily 25.51%
    Citrus 25.04%
    Fresh 25.0%
    Violet 24.18%
    Fatty 23.75%

     

    Flavor
    Bitter 76.72%
    Odorless 27.57%
    Bland 23.73%
    Nitrile 20.76%
    Cedarleaf 19.52%
    Oriental 19.43%
    Sweet-like 18.9%
    Lovage 18.15%
    Butyric 18.08%
    Parsley 18.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    6.56 (neutral)

    Molecular weight
    260.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    330°C

    Flash point

    • 187.95 ˚C est.

  • Synonyms

    • 1,8-Heptadecadiene-4,6-diyne-3,10-diol
    • 1,8-Hdddd
    • DTXSID101284391
    • heptadeca-1,8-dien-4,6-diyne-3,10-diol
    • RefChem:907068
    • DTXCID101047062
    • 63910-76-9
    • 708257-91-4
    • orb1680930
    • IDB25791
    • NCA91076
    • 63910-76-9

  • Applications

    1,8-Heptadecadiene-4,6-diyne-3,10-diol (CAS 63910-76-9) is a multifunctional diol used as a reactive intermediate in polymer formulations; as a crosslinking agent and chain extender in polyurethane and epoxy systems, it enhances network density and thermal stability in coatings and adhesives; it is evaluated as a co-monomer or precursor for specialty polyesters and polyurethanes; its conjugated diene and diyne functionalities make it suitable for UV-curable coatings and inks, enabling rapid cure and potential optical-property tuning; and it can serve as a building block for advanced polymers and resins, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1002.53
    methanol 1152.37
    isopropanol 570.58
    water 0.02
    ethyl acetate 1020.18
    n-propanol 614.71
    acetone 1349.87
    n-butanol 472.69
    acetonitrile 287.72
    DMF 706.68
    toluene 137.05
    isobutanol 327.26
    1,4-dioxane 556.2
    methyl acetate 519.01
    THF 1806.3
    2-butanone 873.03
    n-pentanol 331.56
    sec-butanol 421.81
    n-hexane 31.32
    ethylene glycol 48.97
    NMP 420.29
    cyclohexane 49.09
    DMSO 2099.27
    n-butyl acetate 483.72
    n-octanol 99.65
    chloroform 439.12
    n-propyl acetate 490.36
    acetic acid 354.25
    dichloromethane 540.47
    cyclohexanone 800.51
    propylene glycol 148.68
    isopropyl acetate 513.35
    DMAc 692.96
    2-ethoxyethanol 558.79
    isopentanol 372.7
    n-heptane 21.88
    ethyl formate 248.15
    1,2-dichloroethane 608.23
    n-hexanol 289.98
    2-methoxyethanol 945.59
    isobutyl acetate 272.8
    tetrachloromethane 62.46
    n-pentyl acetate 251.18
    transcutol 1859.1
    n-heptanol 107.13
    ethylbenzene 68.57
    MIBK 447.22
    2-propoxyethanol 530.72
    tert-butanol 584.84
    MTBE 593.58
    2-butoxyethanol 256.14
    propionic acid 285.12
    o-xylene 74.89
    formic acid 89.87
    diethyl ether 790.9
    m-xylene 96.1
    p-xylene 75.55
    chlorobenzene 144.1
    dimethyl carbonate 141.66
    n-octane 8.97
    formamide 195.1
    cyclopentanone 1025.87
    2-pentanone 996.79
    anisole 185.32
    cyclopentyl methyl ether 662.78
    gamma-butyrolactone 764.67
    1-methoxy-2-propanol 778.65
    pyridine 377.1
    3-pentanone 491.43
    furfural 433.39
    n-dodecane 6.57
    diethylene glycol 305.45
    diisopropyl ether 164.92
    tert-amyl alcohol 402.04
    acetylacetone 811.3
    n-hexadecane 7.56
    acetophenone 209.47
    methyl propionate 591.36
    isopentyl acetate 388.54
    trichloroethylene 780.6
    n-nonanol 90.63
    cyclohexanol 351.66
    benzyl alcohol 153.88
    2-ethylhexanol 162.49
    isooctanol 97.22
    dipropyl ether 292.19
    1,2-dichlorobenzene 136.38
    ethyl lactate 150.19
    propylene carbonate 343.96
    n-methylformamide 348.09
    2-pentanol 361.38
    n-pentane 24.62
    1-propoxy-2-propanol 433.72
    1-methoxy-2-propyl acetate 441.4
    2-(2-methoxypropoxy) propanol 229.97
    mesitylene 60.94
    ε-caprolactone 550.63
    p-cymene 49.59
    epichlorohydrin 1024.76
    1,1,1-trichloroethane 334.68
    2-aminoethanol 191.83
    morpholine-4-carbaldehyde 463.2
    sulfolane 905.13
    2,2,4-trimethylpentane 18.85
    2-methyltetrahydrofuran 979.63
    n-hexyl acetate 283.37
    isooctane 17.63
    2-(2-butoxyethoxy)ethanol 352.32
    sec-butyl acetate 307.63
    tert-butyl acetate 521.98
    decalin 23.27
    glycerin 154.25
    diglyme 696.06
    acrylic acid 154.76
    isopropyl myristate 91.38
    n-butyric acid 577.03
    acetyl acetate 334.91
    di(2-ethylhexyl) phthalate 74.51
    ethyl propionate 357.77
    nitromethane 723.77
    1,2-diethoxyethane 595.56
    benzonitrile 154.63
    trioctyl phosphate 61.29
    1-bromopropane 317.82
    gamma-valerolactone 928.92
    n-decanol 63.2
    triethyl phosphate 107.69
    4-methyl-2-pentanol 180.68
    propionitrile 228.99
    vinylene carbonate 233.06
    1,1,2-trichlorotrifluoroethane 514.73
    DMS 194.08
    cumene 51.92
    2-octanol 72.77
    2-hexanone 461.39
    octyl acetate 110.4
    limonene 92.26
    1,2-dimethoxyethane 789.23
    ethyl orthosilicate 111.31
    tributyl phosphate 87.08
    diacetone alcohol 538.05
    N,N-dimethylaniline 114.78
    acrylonitrile 221.79
    aniline 167.45
    1,3-propanediol 347.68
    bromobenzene 144.76
    dibromomethane 360.34
    1,1,2,2-tetrachloroethane 644.6
    2-methyl-cyclohexyl acetate 195.48
    tetrabutyl urea 116.22
    diisobutyl methanol 105.36
    2-phenylethanol 156.3
    styrene 86.04
    dioctyl adipate 142.07
    dimethyl sulfate 243.17
    ethyl butyrate 321.32
    methyl lactate 187.86
    butyl lactate 191.2
    diethyl carbonate 166.18
    propanediol butyl ether 246.02
    triethyl orthoformate 192.63
    p-tert-butyltoluene 51.79
    methyl 4-tert-butylbenzoate 159.76
    morpholine 922.6
    tert-butylamine 281.33
    n-dodecanol 46.46
    dimethoxymethane 784.54
    ethylene carbonate 220.14
    cyrene 189.77
    2-ethoxyethyl acetate 366.37
    2-ethylhexyl acetate 275.79
    1,2,4-trichlorobenzene 166.94
    4-methylpyridine 352.8
    dibutyl ether 198.72
    2,6-dimethyl-4-heptanol 105.36
    DEF 624.18
    dimethyl isosorbide 383.18
    tetrachloroethylene 378.73
    eugenol 155.97
    triacetin 252.52
    span 80 192.41
    1,4-butanediol 111.96
    1,1-dichloroethane 448.55
    2-methyl-1-pentanol 262.58
    methyl formate 216.94
    2-methyl-1-butanol 301.8
    n-decane 12.46
    butyronitrile 311.25
    3,7-dimethyl-1-octanol 121.55
    1-chlorooctane 69.19
    1-chlorotetradecane 23.45
    n-nonane 11.9
    undecane 8.54
    tert-butylcyclohexane 23.39
    cyclooctane 15.22
    cyclopentanol 333.01
    tetrahydropyran 984.32
    tert-amyl methyl ether 345.2
    2,5,8-trioxanonane 410.86
    1-hexene 160.56
    2-isopropoxyethanol 362.01
    2,2,2-trifluoroethanol 72.16
    methyl butyrate 486.0

    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