Acetic acid;tetradeca-4,6-dien-8,10,12-triyn-1-ol

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  • Identifiers

    CAS number
    6581-87-9

    Molecular formula
    C16H18O3

    SMILES
    CC#CC#CC#CC=CC=CCCCO.CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 56.59%
    Floral 46.74%
    Spicy 37.5%
    Cinnamon 26.66%
    Green 25.53%
    Metallic 25.46%
    Fresh 25.25%
    Waxy 23.22%
    Violet 22.54%
    Citrus 20.96%

     

    Flavor
    Bitter 56.83%
    Odorless 21.94%
    Nitrile 21.54%
    Oriental 19.85%
    Ocimene 17.42%
    Low 17.23%
    Mouldy 17.21%
    Cedarleaf 17.12%
    Diterpene 17.07%
    Rotten 17.06%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    5.21 (weak acid)

    Molecular weight
    258.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    138°C

    Flash point

    • 172.35 ˚C est.

  • Synonyms

    • 6581-87-9
    • DTXSID60798097
    • Acetic acid--tetradeca-4,6-diene-8,10,12-triyn-1-ol (1/1)
    • 6581-87-9

  • Applications

    Acetic acid;tetradeca-4,6-dien-8,10,12-triyn-1-ol (CAS 6581-87-9) has several practical applications across industries; it is considered an organic synthesis intermediate for obtaining specialized compounds, can serve as a reactive monomer or building block for specialty polymers and coatings, and may also function as a solvent or co-solvent in manufacturing processes; in perfumery it may be used as a fragrance ingredient or odorant and as a fixative, and it can act as a formulation intermediate in cleaners or coatings and adhesives formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2423.34
    methanol 2807.83
    isopropanol 1212.52
    water 0.24
    ethyl acetate 2158.8
    n-propanol 1440.27
    acetone 3651.11
    n-butanol 1163.01
    acetonitrile 1466.05
    DMF 2383.31
    toluene 483.62
    isobutanol 823.38
    1,4-dioxane 1929.1
    methyl acetate 1517.1
    THF 3040.98
    2-butanone 1898.88
    n-pentanol 783.28
    sec-butanol 892.69
    n-hexane 132.74
    ethylene glycol 388.95
    NMP 1032.37
    cyclohexane 187.76
    DMSO 5554.59
    n-butyl acetate 839.18
    n-octanol 183.18
    chloroform 2196.78
    n-propyl acetate 921.02
    acetic acid 1331.97
    dichloromethane 2755.64
    cyclohexanone 1543.99
    propylene glycol 639.85
    isopropyl acetate 774.78
    DMAc 1427.83
    2-ethoxyethanol 1346.54
    isopentanol 701.73
    n-heptane 69.72
    ethyl formate 682.1
    1,2-dichloroethane 2280.6
    n-hexanol 608.7
    2-methoxyethanol 2530.87
    isobutyl acetate 459.81
    tetrachloromethane 247.19
    n-pentyl acetate 365.56
    transcutol 3676.22
    n-heptanol 188.54
    ethylbenzene 176.43
    MIBK 594.4
    2-propoxyethanol 1091.39
    tert-butanol 1069.03
    MTBE 983.41
    2-butoxyethanol 435.57
    propionic acid 909.5
    o-xylene 168.78
    formic acid 417.52
    diethyl ether 2078.8
    m-xylene 226.1
    p-xylene 178.31
    chlorobenzene 485.73
    dimethyl carbonate 452.73
    n-octane 22.24
    formamide 898.43
    cyclopentanone 1949.85
    2-pentanone 1645.42
    anisole 465.96
    cyclopentyl methyl ether 1288.84
    gamma-butyrolactone 1595.12
    1-methoxy-2-propanol 1557.88
    pyridine 1411.84
    3-pentanone 1032.03
    furfural 1059.82
    n-dodecane 16.09
    diethylene glycol 854.9
    diisopropyl ether 305.8
    tert-amyl alcohol 755.91
    acetylacetone 1390.46
    n-hexadecane 18.29
    acetophenone 409.92
    methyl propionate 1467.68
    isopentyl acetate 591.33
    trichloroethylene 3058.32
    n-nonanol 158.11
    cyclohexanol 797.05
    benzyl alcohol 388.11
    2-ethylhexanol 295.0
    isooctanol 155.48
    dipropyl ether 597.53
    1,2-dichlorobenzene 369.63
    ethyl lactate 292.63
    propylene carbonate 683.87
    n-methylformamide 1260.56
    2-pentanol 722.68
    n-pentane 115.74
    1-propoxy-2-propanol 763.64
    1-methoxy-2-propyl acetate 686.58
    2-(2-methoxypropoxy) propanol 396.14
    mesitylene 117.19
    ε-caprolactone 989.78
    p-cymene 91.34
    epichlorohydrin 2295.65
    1,1,1-trichloroethane 1124.01
    2-aminoethanol 804.75
    morpholine-4-carbaldehyde 1174.41
    sulfolane 1875.01
    2,2,4-trimethylpentane 41.81
    2-methyltetrahydrofuran 1756.39
    n-hexyl acetate 464.36
    isooctane 38.47
    2-(2-butoxyethoxy)ethanol 651.85
    sec-butyl acetate 480.73
    tert-butyl acetate 693.24
    decalin 60.51
    glycerin 664.54
    diglyme 1358.74
    acrylic acid 676.09
    isopropyl myristate 147.03
    n-butyric acid 1231.83
    acetyl acetate 743.97
    di(2-ethylhexyl) phthalate 127.31
    ethyl propionate 697.04
    nitromethane 2578.82
    1,2-diethoxyethane 1113.34
    benzonitrile 419.77
    trioctyl phosphate 101.68
    1-bromopropane 1241.12
    gamma-valerolactone 1805.99
    n-decanol 114.47
    triethyl phosphate 189.38
    4-methyl-2-pentanol 268.6
    propionitrile 883.8
    vinylene carbonate 593.46
    1,1,2-trichlorotrifluoroethane 1478.95
    DMS 432.6
    cumene 99.65
    2-octanol 123.4
    2-hexanone 834.84
    octyl acetate 183.73
    limonene 165.61
    1,2-dimethoxyethane 1710.95
    ethyl orthosilicate 196.91
    tributyl phosphate 147.2
    diacetone alcohol 736.58
    N,N-dimethylaniline 250.72
    acrylonitrile 983.98
    aniline 612.02
    1,3-propanediol 1036.18
    bromobenzene 527.38
    dibromomethane 1767.71
    1,1,2,2-tetrachloroethane 2267.43
    2-methyl-cyclohexyl acetate 288.47
    tetrabutyl urea 193.11
    diisobutyl methanol 167.51
    2-phenylethanol 325.74
    styrene 279.1
    dioctyl adipate 233.52
    dimethyl sulfate 712.46
    ethyl butyrate 554.56
    methyl lactate 461.15
    butyl lactate 288.26
    diethyl carbonate 328.51
    propanediol butyl ether 451.17
    triethyl orthoformate 340.99
    p-tert-butyltoluene 86.33
    methyl 4-tert-butylbenzoate 251.66
    morpholine 2655.83
    tert-butylamine 581.83
    n-dodecanol 87.0
    dimethoxymethane 1926.12
    ethylene carbonate 542.58
    cyrene 335.63
    2-ethoxyethyl acetate 628.34
    2-ethylhexyl acetate 426.46
    1,2,4-trichlorobenzene 451.71
    4-methylpyridine 1099.67
    dibutyl ether 384.05
    2,6-dimethyl-4-heptanol 167.51
    DEF 1374.34
    dimethyl isosorbide 576.86
    tetrachloroethylene 1323.23
    eugenol 292.55
    triacetin 432.44
    span 80 345.56
    1,4-butanediol 383.73
    1,1-dichloroethane 1634.38
    2-methyl-1-pentanol 515.59
    methyl formate 804.74
    2-methyl-1-butanol 703.66
    n-decane 28.83
    butyronitrile 919.73
    3,7-dimethyl-1-octanol 196.84
    1-chlorooctane 143.22
    1-chlorotetradecane 49.96
    n-nonane 31.01
    undecane 20.29
    tert-butylcyclohexane 56.92
    cyclooctane 47.83
    cyclopentanol 733.8
    tetrahydropyran 2389.51
    tert-amyl methyl ether 603.92
    2,5,8-trioxanonane 769.31
    1-hexene 541.09
    2-isopropoxyethanol 749.46
    2,2,2-trifluoroethanol 297.46
    methyl butyrate 910.96

    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