Acetic acid;oct-4-en-1-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    105450-79-1

    Molecular formula
    C10H20O3

    SMILES
    CCCC=CCCCO.CC(=O)O

  • Odor profile

    Fragrance
    Green 86.48%
    Fatty 72.19%
    Fruity 70.39%
    Herbal 63.19%
    Fresh 61.1%
    Earthy 60.47%
    Waxy 58.94%
    Oily 57.66%
    Melon 55.57%
    Vegetable 54.79%

     

    Flavor
    Green 60.58%
    Fresh 56.98%
    Melon 50.58%
    Waxy 44.62%
    Fatty 42.69%
    Cucumber 38.09%
    Citrus 30.23%
    Vegetable 28.68%
    Mushroom 28.37%
    Oily 26.27%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    8.62 (weak base)

    Molecular weight
    188.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    192°C

    Flash point

    • 82.32 ˚C est.

  • Synonyms

    • 105450-79-1
    • DTXSID90761774
    • YQNHMIPMHHZZEX-UHFFFAOYSA-N
    • Acetic acid--oct-4-en-1-ol (1/1)

  • Applications

    Acetic acid;oct-4-en-1-ol; CAS 105450-79-1 is the acetate of oct-4-en-1-ol; in industrial practice it is used as a fragrance ingredient and a fixative in perfumes and cosmetics, as a solvent or processing aid in personal care formulations, may be used as a fragrance or flavor component in compliant food applications, serves as a solvent and processing aid in coatings and inks, and acts as an intermediate in the synthesis of fragrance ingredients and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15216.52
    methanol 12211.61
    isopropanol 14183.62
    water 0.5
    ethyl acetate 5465.06
    n-propanol 11919.89
    acetone 10430.22
    n-butanol 11920.78
    acetonitrile 4435.82
    DMF 5091.94
    toluene 1376.9
    isobutanol 8170.94
    1,4-dioxane 6450.89
    methyl acetate 3511.97
    THF 11893.23
    2-butanone 5865.24
    n-pentanol 5758.4
    sec-butanol 9046.4
    n-hexane 2980.34
    ethylene glycol 1138.51
    NMP 2297.3
    cyclohexane 2804.43
    DMSO 9207.36
    n-butyl acetate 4761.21
    n-octanol 1549.32
    chloroform 5505.64
    n-propyl acetate 3320.61
    acetic acid 4162.47
    dichloromethane 5491.18
    cyclohexanone 5851.26
    propylene glycol 2122.14
    isopropyl acetate 2692.88
    DMAc 1731.41
    2-ethoxyethanol 3711.24
    isopentanol 7436.66
    n-heptane 1805.45
    ethyl formate 2420.53
    1,2-dichloroethane 4143.35
    n-hexanol 6652.42
    2-methoxyethanol 7360.76
    isobutyl acetate 1543.49
    tetrachloromethane 1522.6
    n-pentyl acetate 1700.18
    transcutol 7514.5
    n-heptanol 1846.76
    ethylbenzene 628.66
    MIBK 2429.38
    2-propoxyethanol 5328.62
    tert-butanol 12003.4
    MTBE 6721.4
    2-butoxyethanol 2228.58
    propionic acid 3917.55
    o-xylene 585.1
    formic acid 683.65
    diethyl ether 8732.72
    m-xylene 842.31
    p-xylene 722.83
    chlorobenzene 1352.65
    dimethyl carbonate 524.11
    n-octane 394.93
    formamide 1122.76
    cyclopentanone 5831.83
    2-pentanone 6317.14
    anisole 1033.98
    cyclopentyl methyl ether 5482.57
    gamma-butyrolactone 4504.31
    1-methoxy-2-propanol 5665.24
    pyridine 3998.08
    3-pentanone 2834.04
    furfural 2224.44
    n-dodecane 155.73
    diethylene glycol 2297.11
    diisopropyl ether 1996.91
    tert-amyl alcohol 6252.28
    acetylacetone 2746.77
    n-hexadecane 173.12
    acetophenone 760.76
    methyl propionate 2977.0
    isopentyl acetate 3058.96
    trichloroethylene 4981.19
    n-nonanol 1175.28
    cyclohexanol 6270.11
    benzyl alcohol 1046.0
    2-ethylhexanol 3092.82
    isooctanol 1325.05
    dipropyl ether 5348.35
    1,2-dichlorobenzene 868.91
    ethyl lactate 693.12
    propylene carbonate 1907.93
    n-methylformamide 3176.61
    2-pentanol 7617.97
    n-pentane 2713.54
    1-propoxy-2-propanol 4424.67
    1-methoxy-2-propyl acetate 2018.0
    2-(2-methoxypropoxy) propanol 935.66
    mesitylene 486.26
    ε-caprolactone 3676.45
    p-cymene 519.51
    epichlorohydrin 5012.37
    1,1,1-trichloroethane 3565.6
    2-aminoethanol 3393.9
    morpholine-4-carbaldehyde 2386.01
    sulfolane 3876.91
    2,2,4-trimethylpentane 520.41
    2-methyltetrahydrofuran 9058.61
    n-hexyl acetate 1973.15
    isooctane 516.66
    2-(2-butoxyethoxy)ethanol 1799.77
    sec-butyl acetate 1639.58
    tert-butyl acetate 2237.9
    decalin 508.4
    glycerin 1504.08
    diglyme 3314.33
    acrylic acid 1950.29
    isopropyl myristate 564.93
    n-butyric acid 7567.95
    acetyl acetate 1335.81
    di(2-ethylhexyl) phthalate 359.94
    ethyl propionate 2087.06
    nitromethane 4166.0
    1,2-diethoxyethane 3979.27
    benzonitrile 1344.44
    trioctyl phosphate 368.68
    1-bromopropane 5077.67
    gamma-valerolactone 4619.15
    n-decanol 786.34
    triethyl phosphate 487.42
    4-methyl-2-pentanol 2442.02
    propionitrile 4757.95
    vinylene carbonate 1374.78
    1,1,2-trichlorotrifluoroethane 2535.33
    DMS 667.48
    cumene 377.46
    2-octanol 1184.44
    2-hexanone 3540.19
    octyl acetate 702.81
    limonene 1245.01
    1,2-dimethoxyethane 5657.82
    ethyl orthosilicate 600.99
    tributyl phosphate 469.13
    diacetone alcohol 2257.06
    N,N-dimethylaniline 559.91
    acrylonitrile 3499.61
    aniline 1981.53
    1,3-propanediol 4845.95
    bromobenzene 1392.86
    dibromomethane 4834.85
    1,1,2,2-tetrachloroethane 4041.85
    2-methyl-cyclohexyl acetate 1083.49
    tetrabutyl urea 575.68
    diisobutyl methanol 1432.88
    2-phenylethanol 1257.91
    styrene 899.21
    dioctyl adipate 671.73
    dimethyl sulfate 636.46
    ethyl butyrate 2680.02
    methyl lactate 844.86
    butyl lactate 999.4
    diethyl carbonate 1010.89
    propanediol butyl ether 1639.77
    triethyl orthoformate 1362.36
    p-tert-butyltoluene 512.23
    methyl 4-tert-butylbenzoate 590.79
    morpholine 9335.03
    tert-butylamine 9202.68
    n-dodecanol 572.3
    dimethoxymethane 3764.86
    ethylene carbonate 1475.58
    cyrene 634.78
    2-ethoxyethyl acetate 1525.03
    2-ethylhexyl acetate 2213.76
    1,2,4-trichlorobenzene 862.62
    4-methylpyridine 3428.62
    dibutyl ether 3050.68
    2,6-dimethyl-4-heptanol 1432.88
    DEF 3965.31
    dimethyl isosorbide 1264.51
    tetrachloroethylene 3113.74
    eugenol 615.55
    triacetin 844.58
    span 80 1161.59
    1,4-butanediol 1503.55
    1,1-dichloroethane 5488.18
    2-methyl-1-pentanol 3184.99
    methyl formate 1666.95
    2-methyl-1-butanol 6296.45
    n-decane 347.08
    butyronitrile 6813.6
    3,7-dimethyl-1-octanol 1388.34
    1-chlorooctane 989.45
    1-chlorotetradecane 285.46
    n-nonane 442.99
    undecane 215.22
    tert-butylcyclohexane 522.8
    cyclooctane 710.02
    cyclopentanol 6482.12
    tetrahydropyran 12026.92
    tert-amyl methyl ether 3252.64
    2,5,8-trioxanonane 1539.96
    1-hexene 6196.58
    2-isopropoxyethanol 2321.71
    2,2,2-trifluoroethanol 579.7
    methyl butyrate 3255.14

    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