3-Octanol, 3-methyl-, 3-acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    66008-65-9

    Molecular formula
    C11H22O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 85.97%
    Floral 82.85%
    Sweet 60.68%
    Citrus 59.23%
    Fresh 58.45%
    Herbal 53.31%
    Woody 49.76%
    Rose 49.61%
    Green 39.05%
    Bergamot 38.6%

     

    Flavor
    Green 59.57%
    Woody 50.7%
    Herbal 48.08%
    Sweet 39.73%
    Fruity 39.57%
    Citrus 36.61%
    Earthy 35.38%
    Lavender 33.15%
    Bitter 32.09%
    Fruit 31.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.31 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 80.41 ˚C est.

  • Synonyms

    • 3-Methyloct-3-yl acetate
    • 3-Methyl-3-octyl acetate
    • 3-Octanol, 3-methyl-, acetate
    • 3-Octanol, 3-methyl-, 3-acetate
    • EINECS 266-056-5
    • DTXSID40867199
    • RefChem:95189
    • DTXCID70815401
    • 266-056-5
    • 3-methyloctan-3-yl acetate
    • 66008-65-9
    • PNBFEBGIWFNZLU-UHFFFAOYSA-N
    • NS00012951
    • 66008-65-9

  • Applications

    3-Octanol, 3-methyl-, 3-acetate (CAS 66008-65-9) is mainly employed as a fragrance ingredient in perfumery and cosmetics, and can function as a solvent and carrier component in household products and personal care formulations. It is commonly used as an aroma-chemical intermediate for the synthesis of more complex fragrance molecules and may act as a fixative or scent carrier within finished products. In industrial manufacturing, the ester may be used as a solvent or processing aid in coatings, inks, and adhesives, and serves as a chemical building block for polymer and plastics formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7125.88
    methanol 8249.81
    isopropanol 7183.0
    water 2.18
    ethyl acetate 4007.58
    n-propanol 6645.63
    acetone 4924.99
    n-butanol 6194.12
    acetonitrile 3721.9
    DMF 4285.2
    toluene 2717.71
    isobutanol 5808.56
    1,4-dioxane 6475.73
    methyl acetate 2992.66
    THF 7632.76
    2-butanone 4120.9
    n-pentanol 4277.34
    sec-butanol 6790.64
    n-hexane 3282.99
    ethylene glycol 758.53
    NMP 3864.71
    cyclohexane 3329.29
    DMSO 3270.39
    n-butyl acetate 4090.29
    n-octanol 2367.06
    chloroform 9520.2
    n-propyl acetate 2270.77
    acetic acid 3141.95
    dichloromethane 6269.92
    cyclohexanone 7169.04
    propylene glycol 1591.54
    isopropyl acetate 2890.42
    DMAc 3672.66
    2-ethoxyethanol 2658.2
    isopentanol 5506.9
    n-heptane 1134.41
    ethyl formate 2135.2
    1,2-dichloroethane 3922.7
    n-hexanol 6011.97
    2-methoxyethanol 4352.59
    isobutyl acetate 1662.28
    tetrachloromethane 1920.36
    n-pentyl acetate 2479.6
    transcutol 5867.88
    n-heptanol 1939.87
    ethylbenzene 1530.11
    MIBK 2467.76
    2-propoxyethanol 4538.94
    tert-butanol 7849.66
    MTBE 7095.86
    2-butoxyethanol 2017.46
    propionic acid 3018.26
    o-xylene 1589.23
    formic acid 827.07
    diethyl ether 6092.97
    m-xylene 1730.58
    p-xylene 1969.22
    chlorobenzene 2678.01
    dimethyl carbonate 748.79
    n-octane 412.2
    formamide 853.21
    cyclopentanone 4721.86
    2-pentanone 3837.59
    anisole 1801.99
    cyclopentyl methyl ether 5022.97
    gamma-butyrolactone 4434.1
    1-methoxy-2-propanol 3798.77
    pyridine 4220.57
    3-pentanone 2746.43
    furfural 2855.96
    n-dodecane 258.35
    diethylene glycol 2086.39
    diisopropyl ether 2147.77
    tert-amyl alcohol 7086.9
    acetylacetone 2588.49
    n-hexadecane 299.33
    acetophenone 1400.57
    methyl propionate 2468.45
    isopentyl acetate 3519.36
    trichloroethylene 5692.61
    n-nonanol 1835.25
    cyclohexanol 6604.85
    benzyl alcohol 1587.28
    2-ethylhexanol 3126.35
    isooctanol 1515.37
    dipropyl ether 2927.14
    1,2-dichlorobenzene 1987.63
    ethyl lactate 780.84
    propylene carbonate 2515.63
    n-methylformamide 2159.75
    2-pentanol 4805.24
    n-pentane 2066.02
    1-propoxy-2-propanol 3348.47
    1-methoxy-2-propyl acetate 2286.8
    2-(2-methoxypropoxy) propanol 1539.22
    mesitylene 1139.47
    ε-caprolactone 5459.03
    p-cymene 871.34
    epichlorohydrin 4540.47
    1,1,1-trichloroethane 5004.4
    2-aminoethanol 2068.29
    morpholine-4-carbaldehyde 3810.34
    sulfolane 4029.72
    2,2,4-trimethylpentane 752.85
    2-methyltetrahydrofuran 7558.32
    n-hexyl acetate 3842.02
    isooctane 530.56
    2-(2-butoxyethoxy)ethanol 2238.74
    sec-butyl acetate 1799.57
    tert-butyl acetate 2876.19
    decalin 1075.33
    glycerin 1349.94
    diglyme 3467.56
    acrylic acid 1710.27
    isopropyl myristate 1082.72
    n-butyric acid 4814.96
    acetyl acetate 1848.73
    di(2-ethylhexyl) phthalate 832.74
    ethyl propionate 1876.47
    nitromethane 3282.05
    1,2-diethoxyethane 2940.39
    benzonitrile 2276.14
    trioctyl phosphate 699.79
    1-bromopropane 4680.56
    gamma-valerolactone 5475.8
    n-decanol 1214.45
    triethyl phosphate 672.81
    4-methyl-2-pentanol 2319.81
    propionitrile 3945.45
    vinylene carbonate 2172.61
    1,1,2-trichlorotrifluoroethane 2922.97
    DMS 1476.3
    cumene 986.09
    2-octanol 1767.67
    2-hexanone 2922.51
    octyl acetate 1367.88
    limonene 1764.76
    1,2-dimethoxyethane 5124.14
    ethyl orthosilicate 768.26
    tributyl phosphate 856.07
    diacetone alcohol 2543.1
    N,N-dimethylaniline 1337.34
    acrylonitrile 3111.98
    aniline 2477.2
    1,3-propanediol 2694.83
    bromobenzene 2975.74
    dibromomethane 5502.03
    1,1,2,2-tetrachloroethane 5849.99
    2-methyl-cyclohexyl acetate 1562.14
    tetrabutyl urea 1079.57
    diisobutyl methanol 1261.21
    2-phenylethanol 1895.93
    styrene 1748.57
    dioctyl adipate 1207.0
    dimethyl sulfate 1052.97
    ethyl butyrate 1916.3
    methyl lactate 969.72
    butyl lactate 1425.11
    diethyl carbonate 989.08
    propanediol butyl ether 2015.64
    triethyl orthoformate 1278.95
    p-tert-butyltoluene 852.61
    methyl 4-tert-butylbenzoate 1356.4
    morpholine 7757.07
    tert-butylamine 6244.19
    n-dodecanol 873.82
    dimethoxymethane 2829.25
    ethylene carbonate 2287.79
    cyrene 1157.32
    2-ethoxyethyl acetate 1992.56
    2-ethylhexyl acetate 2767.28
    1,2,4-trichlorobenzene 2196.06
    4-methylpyridine 4921.34
    dibutyl ether 2868.78
    2,6-dimethyl-4-heptanol 1261.21
    DEF 3913.87
    dimethyl isosorbide 2247.34
    tetrachloroethylene 3864.28
    eugenol 1172.02
    triacetin 1680.54
    span 80 1782.29
    1,4-butanediol 1225.42
    1,1-dichloroethane 5787.53
    2-methyl-1-pentanol 3641.72
    methyl formate 1478.75
    2-methyl-1-butanol 5431.89
    n-decane 515.31
    butyronitrile 4839.69
    3,7-dimethyl-1-octanol 2097.4
    1-chlorooctane 1720.2
    1-chlorotetradecane 545.96
    n-nonane 611.99
    undecane 341.5
    tert-butylcyclohexane 1001.54
    cyclooctane 924.29
    cyclopentanol 5397.05
    tetrahydropyran 9561.85
    tert-amyl methyl ether 4682.82
    2,5,8-trioxanonane 2130.96
    1-hexene 5893.71
    2-isopropoxyethanol 2133.59
    2,2,2-trifluoroethanol 754.61
    methyl butyrate 2736.56

    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