3,5,7-Octatriyn-1-ol

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  • Identifiers

    CAS number
    6071-20-1

    Molecular formula
    C8H6O

    SMILES
    C#CC#CC#CCCO

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.41%
    Floral 48.05%
    Spicy 23.48%
    Powdery 23.09%
    Dry 20.18%
    Metallic 17.89%
    Balsamic 17.85%
    Warm 17.64%
    Woody 17.07%
    Waxy 16.73%

     

    Flavor
    Bitter 81.65%
    Odorless 33.42%
    Bland 21.77%
    Nitrile 19.15%
    Sweet-like 17.22%
    Rotten 16.41%
    Taco 16.4%
    Cedarleaf 16.21%
    Formyl 16.12%
    Oriental 16.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.91 (weak acid)

    Molecular weight
    118.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    356°C

    Flash point

    • 112.7 ˚C est.

  • Synonyms

    • 3,5,7-Octatriyn-1-ol
    • OCTA-3,5,7-TRIYN-1-OL
    • RefChem:91339
    • 6071-20-1
    • octa-3,5,7-triyne-1-ol
    • CHEBI:173454
    • 6071-20-1

  • Applications

    3,5,7-Octatriyn-1-ol is primarily used as an organic synthesis intermediate and a functional building block for advanced materials. In the polymer and plastics sector, it can serve as a conjugated alkyne-containing monomer with crosslinking potential to form specialty polymers and high-performance resins. In coatings and inks, it may act as a reactive crosslinker or precursor for UV-curable formulations to enhance cure, adhesion, and network stability. In adhesives, it provides reactive sites that enable polymer network formation and improved bonding in formulated systems. In electronics and optoelectronics, its triple-bond functionality supports exploration of organic semiconductor materials and other functional small molecules. In pharmaceutical research and broader synthetic chemistry, it is used as a building block for more complex molecules in controlled synthetic routes, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1310.78
    methanol 1834.99
    isopropanol 636.96
    water 6.24
    ethyl acetate 415.86
    n-propanol 689.11
    acetone 1420.22
    n-butanol 511.47
    acetonitrile 697.4
    DMF 2641.58
    toluene 100.03
    isobutanol 351.0
    1,4-dioxane 924.72
    methyl acetate 559.4
    THF 1066.43
    2-butanone 519.38
    n-pentanol 309.45
    sec-butanol 357.42
    n-hexane 34.54
    ethylene glycol 865.63
    NMP 842.97
    cyclohexane 58.74
    DMSO 3232.6
    n-butyl acetate 277.49
    n-octanol 151.62
    chloroform 498.34
    n-propyl acetate 284.2
    acetic acid 1352.11
    dichloromethane 569.89
    cyclohexanone 497.02
    propylene glycol 643.59
    isopropyl acetate 167.14
    DMAc 1099.9
    2-ethoxyethanol 735.24
    isopentanol 260.6
    n-heptane 33.72
    ethyl formate 370.82
    1,2-dichloroethane 460.01
    n-hexanol 264.4
    2-methoxyethanol 1600.27
    isobutyl acetate 153.75
    tetrachloromethane 74.64
    n-pentyl acetate 142.86
    transcutol 1591.59
    n-heptanol 105.52
    ethylbenzene 55.42
    MIBK 162.44
    2-propoxyethanol 558.43
    tert-butanol 563.76
    MTBE 281.72
    2-butoxyethanol 268.83
    propionic acid 652.49
    o-xylene 58.28
    formic acid 770.89
    diethyl ether 419.46
    m-xylene 59.87
    p-xylene 66.07
    chlorobenzene 155.24
    dimethyl carbonate 258.4
    n-octane 13.32
    formamide 1206.5
    cyclopentanone 741.71
    2-pentanone 386.58
    anisole 199.59
    cyclopentyl methyl ether 340.77
    gamma-butyrolactone 804.54
    1-methoxy-2-propanol 807.63
    pyridine 580.98
    3-pentanone 259.56
    furfural 715.12
    n-dodecane 13.92
    diethylene glycol 712.04
    diisopropyl ether 70.56
    tert-amyl alcohol 320.63
    acetylacetone 437.37
    n-hexadecane 15.26
    acetophenone 174.51
    methyl propionate 410.09
    isopentyl acetate 186.51
    trichloroethylene 731.13
    n-nonanol 122.61
    cyclohexanol 304.42
    benzyl alcohol 199.83
    2-ethylhexanol 127.8
    isooctanol 81.23
    dipropyl ether 198.56
    1,2-dichlorobenzene 131.06
    ethyl lactate 176.66
    propylene carbonate 352.06
    n-methylformamide 1272.57
    2-pentanol 241.83
    n-pentane 40.05
    1-propoxy-2-propanol 363.1
    1-methoxy-2-propyl acetate 260.71
    2-(2-methoxypropoxy) propanol 250.72
    mesitylene 38.59
    ε-caprolactone 378.58
    p-cymene 44.69
    epichlorohydrin 779.38
    1,1,1-trichloroethane 250.38
    2-aminoethanol 854.02
    morpholine-4-carbaldehyde 926.33
    sulfolane 944.87
    2,2,4-trimethylpentane 16.35
    2-methyltetrahydrofuran 524.64
    n-hexyl acetate 216.95
    isooctane 13.95
    2-(2-butoxyethoxy)ethanol 406.82
    sec-butyl acetate 129.83
    tert-butyl acetate 182.45
    decalin 22.41
    glycerin 877.85
    diglyme 780.21
    acrylic acid 639.28
    isopropyl myristate 82.64
    n-butyric acid 549.54
    acetyl acetate 254.05
    di(2-ethylhexyl) phthalate 84.08
    ethyl propionate 205.72
    nitromethane 1872.07
    1,2-diethoxyethane 378.22
    benzonitrile 223.11
    trioctyl phosphate 70.03
    1-bromopropane 218.03
    gamma-valerolactone 875.42
    n-decanol 92.37
    triethyl phosphate 92.79
    4-methyl-2-pentanol 104.04
    propionitrile 405.55
    vinylene carbonate 387.61
    1,1,2-trichlorotrifluoroethane 791.7
    DMS 219.01
    cumene 37.66
    2-octanol 78.05
    2-hexanone 266.31
    octyl acetate 113.06
    limonene 74.69
    1,2-dimethoxyethane 1047.96
    ethyl orthosilicate 92.65
    tributyl phosphate 90.94
    diacetone alcohol 285.17
    N,N-dimethylaniline 126.3
    acrylonitrile 576.77
    aniline 224.91
    1,3-propanediol 878.07
    bromobenzene 139.23
    dibromomethane 340.8
    1,1,2,2-tetrachloroethane 531.78
    2-methyl-cyclohexyl acetate 119.25
    tetrabutyl urea 132.01
    diisobutyl methanol 78.48
    2-phenylethanol 157.75
    styrene 92.05
    dioctyl adipate 131.56
    dimethyl sulfate 426.63
    ethyl butyrate 177.72
    methyl lactate 338.46
    butyl lactate 159.06
    diethyl carbonate 136.82
    propanediol butyl ether 363.37
    triethyl orthoformate 143.33
    p-tert-butyltoluene 44.31
    methyl 4-tert-butylbenzoate 140.29
    morpholine 1069.41
    tert-butylamine 291.62
    n-dodecanol 73.74
    dimethoxymethane 926.73
    ethylene carbonate 295.76
    cyrene 205.72
    2-ethoxyethyl acetate 234.97
    2-ethylhexyl acetate 145.93
    1,2,4-trichlorobenzene 165.48
    4-methylpyridine 379.62
    dibutyl ether 164.58
    2,6-dimethyl-4-heptanol 78.48
    DEF 521.42
    dimethyl isosorbide 306.77
    tetrachloroethylene 368.6
    eugenol 189.56
    triacetin 223.31
    span 80 229.29
    1,4-butanediol 369.15
    1,1-dichloroethane 331.74
    2-methyl-1-pentanol 184.81
    methyl formate 843.23
    2-methyl-1-butanol 256.08
    n-decane 21.13
    butyronitrile 350.93
    3,7-dimethyl-1-octanol 117.21
    1-chlorooctane 79.64
    1-chlorotetradecane 34.6
    n-nonane 21.08
    undecane 16.67
    tert-butylcyclohexane 21.26
    cyclooctane 17.32
    cyclopentanol 400.0
    tetrahydropyran 655.43
    tert-amyl methyl ether 191.23
    2,5,8-trioxanonane 498.85
    1-hexene 119.46
    2-isopropoxyethanol 360.36
    2,2,2-trifluoroethanol 343.22
    methyl butyrate 308.87

    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