7-Octene-3,5-diyn-1-ol

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  • Identifiers

    CAS number
    114020-45-0

    Molecular formula
    C8H8O

    SMILES
    C=CC#CC#CCCO

    Safety labels

  • Odor profile

    Fragrance
    Sweet 48.86%
    Floral 46.58%
    Spicy 30.75%
    Green 24.82%
    Metallic 24.5%
    Pungent 23.3%
    Fresh 20.43%
    Cinnamon 19.87%
    Warm 18.19%
    Violet 17.68%

     

    Flavor
    Bitter 73.66%
    Odorless 29.3%
    Nitrile 20.91%
    Bland 18.74%
    Taco 17.89%
    Oriental 17.76%
    Sweet-like 17.54%
    Bread crust 17.42%
    Rotten 17.33%
    Formyl 17.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.06 (neutral)

    Molecular weight
    120.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    276°C

    Flash point

    • 111.34 ˚C est.

  • Synonyms

    • Lentialexin
    • oct-7-en-3,5-diyn-1-ol
    • 7-Octene-3,5-diyn-1-ol
    • 114020-45-0
    • WRD3GE6JJ5
    • RefChem:1074516
    • Oct-7-ene-3,5-diyn-1-ol
    • SCHEMBL10616584
    • DTXSID10573417
    • CHEBI:178221
    • LMFA05000672
    • 114020-45-0

  • Applications

    7-Octene-3,5-diyn-1-ol (CAS 114020-45-0) is primarily used as a versatile intermediate in organic synthesis, enabling construction of diverse molecular architectures from its terminal alkyne and alcohol functionality. In polymers and coatings, it can act as a functional monomer or crosslinking/functionalization agent for UV-curable coatings and specialty adhesives, contributing to network formation and material performance. In surface chemistry and electronics, the alkynyl group provides a handle for click-chemistry and other functionalization strategies for surface modification of materials and sensors. In pharmaceutical and fine-chemical synthesis, it serves as an intermediate to assemble more complex molecules and to introduce reactive handles for downstream transformations. In broader industrial applications, it is evaluated as a precursor for specialty polymers and functional additives used in coatings, inks, and adhesives, subject to formulation controls and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2206.74
    methanol 2696.86
    isopropanol 1220.64
    water 1.76
    ethyl acetate 974.17
    n-propanol 1258.69
    acetone 2588.87
    n-butanol 1005.98
    acetonitrile 1149.49
    DMF 3542.92
    toluene 251.12
    isobutanol 692.46
    1,4-dioxane 1427.27
    methyl acetate 1069.86
    THF 2036.69
    2-butanone 1093.75
    n-pentanol 577.11
    sec-butanol 716.96
    n-hexane 114.2
    ethylene glycol 757.14
    NMP 1410.55
    cyclohexane 163.5
    DMSO 4947.11
    n-butyl acetate 728.93
    n-octanol 286.91
    chloroform 989.22
    n-propyl acetate 594.66
    acetic acid 1719.47
    dichloromethane 1219.01
    cyclohexanone 1047.45
    propylene glycol 740.04
    isopropyl acetate 372.98
    DMAc 1480.21
    2-ethoxyethanol 961.5
    isopentanol 536.83
    n-heptane 99.86
    ethyl formate 643.28
    1,2-dichloroethane 926.67
    n-hexanol 584.55
    2-methoxyethanol 2097.99
    isobutyl acetate 303.16
    tetrachloromethane 170.98
    n-pentyl acetate 297.09
    transcutol 2374.18
    n-heptanol 202.21
    ethylbenzene 132.47
    MIBK 356.96
    2-propoxyethanol 974.11
    tert-butanol 1073.24
    MTBE 623.54
    2-butoxyethanol 408.52
    propionic acid 997.14
    o-xylene 126.95
    formic acid 601.19
    diethyl ether 989.23
    m-xylene 147.13
    p-xylene 154.34
    chlorobenzene 361.9
    dimethyl carbonate 422.23
    n-octane 33.9
    formamide 995.95
    cyclopentanone 1556.38
    2-pentanone 918.23
    anisole 388.57
    cyclopentyl methyl ether 769.62
    gamma-butyrolactone 1480.17
    1-methoxy-2-propanol 1323.44
    pyridine 1035.16
    3-pentanone 573.57
    furfural 1094.03
    n-dodecane 29.85
    diethylene glycol 893.14
    diisopropyl ether 167.82
    tert-amyl alcohol 631.7
    acetylacetone 833.9
    n-hexadecane 33.66
    acetophenone 334.26
    methyl propionate 837.02
    isopentyl acetate 471.14
    trichloroethylene 1487.61
    n-nonanol 226.44
    cyclohexanol 622.02
    benzyl alcohol 338.74
    2-ethylhexanol 287.93
    isooctanol 150.93
    dipropyl ether 496.37
    1,2-dichlorobenzene 280.81
    ethyl lactate 275.08
    propylene carbonate 672.43
    n-methylformamide 1605.67
    2-pentanol 537.22
    n-pentane 130.1
    1-propoxy-2-propanol 723.59
    1-methoxy-2-propyl acetate 526.86
    2-(2-methoxypropoxy) propanol 392.04
    mesitylene 92.1
    ε-caprolactone 738.74
    p-cymene 100.47
    epichlorohydrin 1403.81
    1,1,1-trichloroethane 614.82
    2-aminoethanol 939.64
    morpholine-4-carbaldehyde 1272.6
    sulfolane 1894.31
    2,2,4-trimethylpentane 39.43
    2-methyltetrahydrofuran 1129.44
    n-hexyl acetate 450.13
    isooctane 36.64
    2-(2-butoxyethoxy)ethanol 609.11
    sec-butyl acetate 282.12
    tert-butyl acetate 388.17
    decalin 55.76
    glycerin 853.8
    diglyme 1204.75
    acrylic acid 850.83
    isopropyl myristate 170.54
    n-butyric acid 1070.48
    acetyl acetate 456.5
    di(2-ethylhexyl) phthalate 142.3
    ethyl propionate 434.24
    nitromethane 2528.84
    1,2-diethoxyethane 761.45
    benzonitrile 399.65
    trioctyl phosphate 126.4
    1-bromopropane 566.88
    gamma-valerolactone 1433.94
    n-decanol 168.52
    triethyl phosphate 168.72
    4-methyl-2-pentanol 208.51
    propionitrile 749.36
    vinylene carbonate 616.91
    1,1,2-trichlorotrifluoroethane 1128.63
    DMS 382.46
    cumene 85.53
    2-octanol 157.13
    2-hexanone 560.63
    octyl acetate 222.27
    limonene 178.66
    1,2-dimethoxyethane 1522.86
    ethyl orthosilicate 167.03
    tributyl phosphate 176.58
    diacetone alcohol 544.03
    N,N-dimethylaniline 238.02
    acrylonitrile 966.0
    aniline 422.45
    1,3-propanediol 1119.84
    bromobenzene 357.38
    dibromomethane 796.93
    1,1,2,2-tetrachloroethane 1030.94
    2-methyl-cyclohexyl acetate 246.21
    tetrabutyl urea 243.65
    diisobutyl methanol 166.9
    2-phenylethanol 288.24
    styrene 216.74
    dioctyl adipate 248.28
    dimethyl sulfate 686.38
    ethyl butyrate 436.97
    methyl lactate 487.54
    butyl lactate 294.92
    diethyl carbonate 271.99
    propanediol butyl ether 536.14
    triethyl orthoformate 279.25
    p-tert-butyltoluene 97.05
    methyl 4-tert-butylbenzoate 243.09
    morpholine 1677.37
    tert-butylamine 595.36
    n-dodecanol 132.77
    dimethoxymethane 1587.19
    ethylene carbonate 503.91
    cyrene 307.52
    2-ethoxyethyl acetate 429.04
    2-ethylhexyl acetate 348.29
    1,2,4-trichlorobenzene 341.11
    4-methylpyridine 784.5
    dibutyl ether 381.23
    2,6-dimethyl-4-heptanol 166.9
    DEF 972.37
    dimethyl isosorbide 519.67
    tetrachloroethylene 672.81
    eugenol 289.38
    triacetin 397.33
    span 80 368.5
    1,4-butanediol 470.26
    1,1-dichloroethane 812.42
    2-methyl-1-pentanol 354.87
    methyl formate 1107.89
    2-methyl-1-butanol 527.84
    n-decane 47.88
    butyronitrile 727.46
    3,7-dimethyl-1-octanol 247.4
    1-chlorooctane 179.3
    1-chlorotetradecane 73.68
    n-nonane 51.05
    undecane 36.65
    tert-butylcyclohexane 54.36
    cyclooctane 48.59
    cyclopentanol 805.93
    tetrahydropyran 1337.05
    tert-amyl methyl ether 407.49
    2,5,8-trioxanonane 732.83
    1-hexene 354.5
    2-isopropoxyethanol 533.97
    2,2,2-trifluoroethanol 359.26
    methyl butyrate 646.18

    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