1-Octen-3-ol, 3-methyl-, 3-acetate

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  • Identifiers

    CAS number
    66008-66-0

    Molecular formula
    C11H20O2

    SMILES
    CCCCCC(C)(C=C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 84.79%
    Floral 75.06%
    Fresh 58.72%
    Green 57.71%
    Citrus 56.74%
    Woody 54.1%
    Herbal 51.52%
    Sweet 49.78%
    Bergamot 45.18%
    Lavender 41.9%

     

    Flavor
    Woody 61.41%
    Green 55.37%
    Fruity 54.88%
    Sweet 52.47%
    Herbal 51.97%
    Lavender 51.14%
    Citrus 48.58%
    Bergamot 47.86%
    Tropical 40.8%
    Fruit 35.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.72 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 80.8 ˚C est.

  • Synonyms

    • 66008-66-0
    • 3-Methyl-1-octen-3-yl acetate
    • 1-Octen-3-ol, 3-methyl-, 3-acetate
    • 1-Octen-3-ol, 3-methyl-, acetate
    • EINECS 266-057-0
    • DTXSID90867200
    • RefChem:76778
    • DTXCID30815402
    • 3-Methyloct-1-en-3-yl acetate
    • XQORIFSEERBMJT-UHFFFAOYSA-N
    • 89596KF95E
    • NS00012948
    • 66008-66-0

  • Applications

    1-Octen-3-ol, 3-methyl-, 3-acetate (CAS 66008-66-0) is used as a fragrance ingredient and odorant in perfumery, contributing a green, fruity note typical of unsaturated acetate esters. It is often evaluated for flavor/aroma applications as an aroma compound and may be used to impart character to products. In cosmetics and personal care, it serves as a scent component in formulations such as creams and lotions. In household products, it can be added as a fragrance additive in cleaners and air fresheners. Additionally, in industrial manufacturing it may function as an intermediate or building block for the synthesis of more complex fragrance molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2813.11
    methanol 3232.44
    isopropanol 2684.98
    water 0.78
    ethyl acetate 1797.08
    n-propanol 2560.43
    acetone 2128.34
    n-butanol 2718.49
    acetonitrile 1257.54
    DMF 2509.27
    toluene 1351.04
    isobutanol 2395.11
    1,4-dioxane 3027.21
    methyl acetate 1325.49
    THF 4093.38
    2-butanone 1840.29
    n-pentanol 1958.19
    sec-butanol 2892.61
    n-hexane 1251.31
    ethylene glycol 322.94
    NMP 2275.83
    cyclohexane 1310.85
    DMSO 1748.35
    n-butyl acetate 1806.6
    n-octanol 1045.01
    chloroform 3867.8
    n-propyl acetate 987.97
    acetic acid 1281.44
    dichloromethane 2694.63
    cyclohexanone 3171.45
    propylene glycol 680.48
    isopropyl acetate 1311.08
    DMAc 2190.44
    2-ethoxyethanol 1280.13
    isopentanol 2437.37
    n-heptane 417.98
    ethyl formate 900.8
    1,2-dichloroethane 1802.8
    n-hexanol 2932.32
    2-methoxyethanol 2139.27
    isobutyl acetate 757.97
    tetrachloromethane 693.47
    n-pentyl acetate 996.53
    transcutol 3548.6
    n-heptanol 848.87
    ethylbenzene 769.14
    MIBK 1204.64
    2-propoxyethanol 2359.29
    tert-butanol 3466.64
    MTBE 3111.14
    2-butoxyethanol 925.44
    propionic acid 1235.64
    o-xylene 821.71
    formic acid 333.8
    diethyl ether 2789.78
    m-xylene 941.06
    p-xylene 927.51
    chlorobenzene 1221.27
    dimethyl carbonate 415.2
    n-octane 160.02
    formamide 351.24
    cyclopentanone 2286.74
    2-pentanone 1822.78
    anisole 985.05
    cyclopentyl methyl ether 2513.1
    gamma-butyrolactone 2297.8
    1-methoxy-2-propanol 1974.16
    pyridine 1768.16
    3-pentanone 1282.52
    furfural 1473.53
    n-dodecane 113.77
    diethylene glycol 1112.82
    diisopropyl ether 978.6
    tert-amyl alcohol 3235.08
    acetylacetone 1307.97
    n-hexadecane 130.35
    acetophenone 775.59
    methyl propionate 1191.15
    isopentyl acetate 1620.26
    trichloroethylene 2721.68
    n-nonanol 826.06
    cyclohexanol 2934.45
    benzyl alcohol 838.71
    2-ethylhexanol 1460.49
    isooctanol 675.69
    dipropyl ether 1260.25
    1,2-dichlorobenzene 964.24
    ethyl lactate 394.13
    propylene carbonate 1310.66
    n-methylformamide 928.03
    2-pentanol 2219.22
    n-pentane 812.01
    1-propoxy-2-propanol 1708.68
    1-methoxy-2-propyl acetate 1278.26
    2-(2-methoxypropoxy) propanol 970.91
    mesitylene 620.73
    ε-caprolactone 2474.73
    p-cymene 416.99
    epichlorohydrin 2336.74
    1,1,1-trichloroethane 2214.3
    2-aminoethanol 840.63
    morpholine-4-carbaldehyde 2073.06
    sulfolane 2228.84
    2,2,4-trimethylpentane 344.61
    2-methyltetrahydrofuran 3740.26
    n-hexyl acetate 1720.68
    isooctane 244.2
    2-(2-butoxyethoxy)ethanol 1329.39
    sec-butyl acetate 820.56
    tert-butyl acetate 1439.85
    decalin 469.08
    glycerin 630.41
    diglyme 1884.6
    acrylic acid 752.4
    isopropyl myristate 557.26
    n-butyric acid 2059.96
    acetyl acetate 866.16
    di(2-ethylhexyl) phthalate 486.86
    ethyl propionate 897.07
    nitromethane 1372.62
    1,2-diethoxyethane 1532.75
    benzonitrile 1034.89
    trioctyl phosphate 374.52
    1-bromopropane 2076.34
    gamma-valerolactone 2584.63
    n-decanol 587.75
    triethyl phosphate 374.84
    4-methyl-2-pentanol 1106.94
    propionitrile 1516.14
    vinylene carbonate 1104.77
    1,1,2-trichlorotrifluoroethane 1418.33
    DMS 805.44
    cumene 500.28
    2-octanol 739.93
    2-hexanone 1326.31
    octyl acetate 729.53
    limonene 859.91
    1,2-dimethoxyethane 2406.04
    ethyl orthosilicate 415.96
    tributyl phosphate 477.76
    diacetone alcohol 1352.57
    N,N-dimethylaniline 747.74
    acrylonitrile 1196.44
    aniline 1155.39
    1,3-propanediol 1193.3
    bromobenzene 1391.99
    dibromomethane 2279.09
    1,1,2,2-tetrachloroethane 2714.53
    2-methyl-cyclohexyl acetate 851.71
    tetrabutyl urea 611.24
    diisobutyl methanol 607.3
    2-phenylethanol 1030.21
    styrene 856.1
    dioctyl adipate 682.1
    dimethyl sulfate 618.97
    ethyl butyrate 880.57
    methyl lactate 529.53
    butyl lactate 675.02
    diethyl carbonate 517.96
    propanediol butyl ether 1010.91
    triethyl orthoformate 643.47
    p-tert-butyltoluene 424.1
    methyl 4-tert-butylbenzoate 770.9
    morpholine 3520.52
    tert-butylamine 2566.51
    n-dodecanol 433.09
    dimethoxymethane 1608.21
    ethylene carbonate 1070.01
    cyrene 720.55
    2-ethoxyethyl acetate 973.6
    2-ethylhexyl acetate 1307.3
    1,2,4-trichlorobenzene 1108.77
    4-methylpyridine 2330.66
    dibutyl ether 1321.25
    2,6-dimethyl-4-heptanol 607.3
    DEF 1872.81
    dimethyl isosorbide 1451.31
    tetrachloroethylene 1696.89
    eugenol 691.38
    triacetin 941.62
    span 80 1018.11
    1,4-butanediol 554.19
    1,1-dichloroethane 2435.43
    2-methyl-1-pentanol 1775.62
    methyl formate 680.87
    2-methyl-1-butanol 2417.08
    n-decane 210.34
    butyronitrile 2012.0
    3,7-dimethyl-1-octanol 1021.39
    1-chlorooctane 760.86
    1-chlorotetradecane 264.47
    n-nonane 237.39
    undecane 147.06
    tert-butylcyclohexane 446.4
    cyclooctane 377.09
    cyclopentanol 2349.72
    tetrahydropyran 4398.47
    tert-amyl methyl ether 2285.03
    2,5,8-trioxanonane 1320.25
    1-hexene 2477.26
    2-isopropoxyethanol 1068.61
    2,2,2-trifluoroethanol 308.6
    methyl butyrate 1227.6

    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