1,9-Heptadecadiene-4,6-diyne-3,8-diol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    55297-87-5

    Molecular formula
    C17H24O2

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

  • Odor profile

    Fragrance
    Green 36.43%
    Sweet 33.0%
    Metallic 28.99%
    Citrus 28.68%
    Spicy 27.68%
    Fatty 27.25%
    Fresh 26.94%
    Floral 26.75%
    Oily 25.62%
    Waxy 25.24%

     

    Flavor
    Bitter 75.82%
    Odorless 26.8%
    Bland 24.66%
    Nitrile 20.48%
    Cedarleaf 19.4%
    Oriental 19.34%
    Sweet-like 18.49%
    Lovage 18.01%
    Butyric 17.9%
    Heather 17.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.37 (neutral)

    Molecular weight
    260.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    391°C

    Flash point

    • 191.6 ˚C est.

  • Synonyms

    • Falcarindiol
    • 55297-87-5
    • (Z)-Falcarindiol
    • (+)-Falcarindiol
    • 8G3AW3GYU8
    • Falcalindiol
    • 1,9-Heptadecadiene-4,6-diyne-3,8-diol
    • CHEBI:69236
    • 1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)-
    • (3S,8S,Z)-Heptadeca-1,9-dien-4,6-diyne-3,8-diol
    • Heptadeca-1,9-diene-4,6-diyne-3,8-diol
    • UNII-8G3AW3GYU8
    • CHEMBL425677
    • MEGxp0_000391
    • (3S,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
    • ACon1_000065
    • HY-N0364
    • FB74223
    • NCGC00168828-01
    • MS-23672
    • CS-0008913
    • Falcarindiol;1,9-Heptadecadiene-4,6-diyne-3,8-diol
    • Q60998696
    • (3S,8S,9Z)-1,9-Heptadecadiene-4,6-diyne-3,8-diol
    • 1,9-Heptadecadiene-4,6-diyne-3,8-diol, [S-[R*,R*-(Z)]]-

  • Applications

    1,9-Heptadecadiene-4,6-diyne-3,8-diol (CAS number: 55297-87-5) is primarily used as a diol building block in polymer synthesis, serving as a flexible yet functional chain extender for polyurethanes and polyesters to tune cure behavior and network formation. It can act as a crosslinking component in UV-curable coatings and inks, contributing to film hardness and chemical resistance. Owing to its rigid diyne units, it is evaluated for specialty polymers and high-performance materials, including electronics-oriented polymers and advanced coatings where conjugated linkages are desirable. In adhesive formulations, it provides diol functionality that participates in polyurethane or acrylate networks, improving adhesion and elasticity. Additionally, as a synthetic intermediate, it is used as a precursor for more complex monomers and specialty intermediates in research and development. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 987.66
    methanol 1143.89
    isopropanol 586.77
    water 0.03
    ethyl acetate 1034.99
    n-propanol 668.15
    acetone 1606.14
    n-butanol 496.86
    acetonitrile 324.61
    DMF 1054.6
    toluene 183.17
    isobutanol 360.23
    1,4-dioxane 546.52
    methyl acetate 560.17
    THF 1902.43
    2-butanone 1004.51
    n-pentanol 339.98
    sec-butanol 464.73
    n-hexane 37.05
    ethylene glycol 63.53
    NMP 657.24
    cyclohexane 59.99
    DMSO 2913.19
    n-butyl acetate 474.52
    n-octanol 100.69
    chloroform 490.79
    n-propyl acetate 480.24
    acetic acid 409.83
    dichloromethane 622.74
    cyclohexanone 941.92
    propylene glycol 181.08
    isopropyl acetate 505.16
    DMAc 863.13
    2-ethoxyethanol 553.18
    isopentanol 379.31
    n-heptane 22.15
    ethyl formate 268.71
    1,2-dichloroethane 735.83
    n-hexanol 301.09
    2-methoxyethanol 995.33
    isobutyl acetate 264.03
    tetrachloromethane 83.85
    n-pentyl acetate 254.06
    transcutol 1727.77
    n-heptanol 113.79
    ethylbenzene 79.73
    MIBK 479.7
    2-propoxyethanol 552.52
    tert-butanol 639.68
    MTBE 623.23
    2-butoxyethanol 263.79
    propionic acid 346.86
    o-xylene 96.18
    formic acid 108.77
    diethyl ether 746.53
    m-xylene 124.14
    p-xylene 84.78
    chlorobenzene 181.06
    dimethyl carbonate 178.93
    n-octane 9.32
    formamide 260.88
    cyclopentanone 1356.71
    2-pentanone 1089.22
    anisole 200.43
    cyclopentyl methyl ether 800.24
    gamma-butyrolactone 993.29
    1-methoxy-2-propanol 852.79
    pyridine 465.88
    3-pentanone 587.22
    furfural 527.63
    n-dodecane 6.62
    diethylene glycol 330.98
    diisopropyl ether 178.14
    tert-amyl alcohol 450.75
    acetylacetone 927.31
    n-hexadecane 7.56
    acetophenone 226.14
    methyl propionate 695.47
    isopentyl acetate 385.26
    trichloroethylene 982.02
    n-nonanol 91.71
    cyclohexanol 413.31
    benzyl alcohol 175.1
    2-ethylhexanol 162.17
    isooctanol 100.24
    dipropyl ether 271.48
    1,2-dichlorobenzene 166.79
    ethyl lactate 159.44
    propylene carbonate 405.73
    n-methylformamide 487.77
    2-pentanol 378.31
    n-pentane 31.51
    1-propoxy-2-propanol 435.7
    1-methoxy-2-propyl acetate 447.72
    2-(2-methoxypropoxy) propanol 225.33
    mesitylene 75.57
    ε-caprolactone 610.04
    p-cymene 53.69
    epichlorohydrin 1199.77
    1,1,1-trichloroethane 425.53
    2-aminoethanol 238.08
    morpholine-4-carbaldehyde 535.52
    sulfolane 1268.55
    2,2,4-trimethylpentane 21.69
    2-methyltetrahydrofuran 1060.35
    n-hexyl acetate 283.98
    isooctane 20.1
    2-(2-butoxyethoxy)ethanol 350.92
    sec-butyl acetate 296.83
    tert-butyl acetate 556.35
    decalin 25.22
    glycerin 187.33
    diglyme 669.29
    acrylic acid 199.81
    isopropyl myristate 89.34
    n-butyric acid 619.29
    acetyl acetate 354.96
    di(2-ethylhexyl) phthalate 75.76
    ethyl propionate 373.76
    nitromethane 870.62
    1,2-diethoxyethane 532.52
    benzonitrile 177.66
    trioctyl phosphate 62.91
    1-bromopropane 369.39
    gamma-valerolactone 1115.6
    n-decanol 63.89
    triethyl phosphate 107.48
    4-methyl-2-pentanol 184.3
    propionitrile 258.53
    vinylene carbonate 265.5
    1,1,2-trichlorotrifluoroethane 637.18
    DMS 212.8
    cumene 56.92
    2-octanol 77.08
    2-hexanone 476.21
    octyl acetate 109.67
    limonene 99.23
    1,2-dimethoxyethane 726.43
    ethyl orthosilicate 109.36
    tributyl phosphate 88.52
    diacetone alcohol 594.1
    N,N-dimethylaniline 124.53
    acrylonitrile 278.14
    aniline 214.11
    1,3-propanediol 381.94
    bromobenzene 183.01
    dibromomethane 421.99
    1,1,2,2-tetrachloroethane 778.43
    2-methyl-cyclohexyl acetate 190.3
    tetrabutyl urea 120.45
    diisobutyl methanol 106.86
    2-phenylethanol 172.95
    styrene 100.98
    dioctyl adipate 139.37
    dimethyl sulfate 325.0
    ethyl butyrate 308.86
    methyl lactate 228.0
    butyl lactate 198.63
    diethyl carbonate 159.9
    propanediol butyl ether 256.71
    triethyl orthoformate 180.9
    p-tert-butyltoluene 57.27
    methyl 4-tert-butylbenzoate 170.9
    morpholine 957.55
    tert-butylamine 304.19
    n-dodecanol 47.09
    dimethoxymethane 925.65
    ethylene carbonate 246.41
    cyrene 203.71
    2-ethoxyethyl acetate 374.27
    2-ethylhexyl acetate 268.11
    1,2,4-trichlorobenzene 204.16
    4-methylpyridine 426.62
    dibutyl ether 177.3
    2,6-dimethyl-4-heptanol 106.86
    DEF 744.0
    dimethyl isosorbide 384.6
    tetrachloroethylene 474.02
    eugenol 163.88
    triacetin 249.24
    span 80 194.01
    1,4-butanediol 130.7
    1,1-dichloroethane 545.82
    2-methyl-1-pentanol 263.88
    methyl formate 291.39
    2-methyl-1-butanol 343.62
    n-decane 12.3
    butyronitrile 320.73
    3,7-dimethyl-1-octanol 122.65
    1-chlorooctane 70.36
    1-chlorotetradecane 23.7
    n-nonane 12.04
    undecane 8.54
    tert-butylcyclohexane 24.76
    cyclooctane 18.51
    cyclopentanol 417.08
    tetrahydropyran 1005.2
    tert-amyl methyl ether 387.17
    2,5,8-trioxanonane 393.64
    1-hexene 169.08
    2-isopropoxyethanol 361.13
    2,2,2-trifluoroethanol 93.39
    methyl butyrate 498.09

    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

Botanical

Name CAS Botanical Proportion
Parsley leaf (Germany), 1b (smooth leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.01%
Parsley leaf (Germany), 1a (curly leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.01%