3-Octanol, 3,6-dimethyl-, 3-acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    60763-42-0

    Molecular formula
    C12H24O2

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

  • Odor profile

    Fragrance
    Floral 84.97%
    Fruity 68.57%
    Sweet 66.24%
    Woody 60.73%
    Fresh 60.47%
    Citrus 58.06%
    Rose 49.48%
    Bergamot 45.02%
    Herbal 43.19%
    Lavender 40.57%

     

    Flavor
    Green 55.95%
    Woody 51.92%
    Floral 39.15%
    Herbal 37.66%
    Citrus 36.82%
    Fruity 31.54%
    Lily 31.5%
    Oily 31.27%
    Tropical 30.6%
    Lavender 29.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.52 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point

    • 87.29 ˚C est.

  • Synonyms

    • 3,6-Dimethyloctan-3-yl acetate
    • 3,6-Dimethyl-3-octyl acetate
    • 60763-42-0
    • 3,6-Dimethyl-3-octanol acetate
    • EINECS 262-415-5
    • 3-Octanol, 3,6-dimethyl-, acetate
    • 3-Octanol, 3,6-dimethyl-, 3-acetate
    • DTXSID00866825
    • SCHEMBL15914296
    • DTXCID70815062
    • JFKHPWLOPZASHC-UHFFFAOYSA-N
    • DB-314913
    • NS00012324

  • Applications

    3-Octanol, 3,6-dimethyl-, 3-acetate (CAS 60763-42-0) is typically used as an aroma ingredient in the fragrance and flavor industries, often acting as a fragrance fixative or carrier for fruity notes, and it can serve as an intermediate in the synthesis of fragrance compounds. It may be evaluated for use in cosmetics and personal care products. The ester can also be used as a solvent or processing aid in coatings, inks, and adhesives, and as a fragrance ingredient in household and cleaning products to impart fresh, fruit-like notes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4268.17
    methanol 4118.1
    isopropanol 4642.13
    water 1.23
    ethyl acetate 3017.56
    n-propanol 4148.3
    acetone 3320.09
    n-butanol 3976.29
    acetonitrile 2260.75
    DMF 2912.98
    toluene 2199.84
    isobutanol 3857.97
    1,4-dioxane 5005.0
    methyl acetate 2267.99
    THF 5726.8
    2-butanone 3130.3
    n-pentanol 2899.08
    sec-butanol 4627.84
    n-hexane 1982.99
    ethylene glycol 408.86
    NMP 2751.76
    cyclohexane 1960.65
    DMSO 2158.34
    n-butyl acetate 3019.18
    n-octanol 1621.74
    chloroform 6887.81
    n-propyl acetate 1707.52
    acetic acid 1660.85
    dichloromethane 4445.02
    cyclohexanone 4991.22
    propylene glycol 1053.7
    isopropyl acetate 2342.25
    DMAc 2952.64
    2-ethoxyethanol 1870.47
    isopentanol 3895.84
    n-heptane 594.27
    ethyl formate 1430.85
    1,2-dichloroethane 2996.4
    n-hexanol 4095.18
    2-methoxyethanol 2788.98
    isobutyl acetate 1388.55
    tetrachloromethane 1487.8
    n-pentyl acetate 1757.52
    transcutol 4758.07
    n-heptanol 1409.66
    ethylbenzene 1257.99
    MIBK 1910.44
    2-propoxyethanol 3224.95
    tert-butanol 5648.53
    MTBE 5924.63
    2-butoxyethanol 1534.38
    propionic acid 1907.88
    o-xylene 1344.9
    formic acid 425.62
    diethyl ether 4242.02
    m-xylene 1431.34
    p-xylene 1703.42
    chlorobenzene 2188.96
    dimethyl carbonate 548.45
    n-octane 249.16
    formamide 483.04
    cyclopentanone 3459.42
    2-pentanone 2715.89
    anisole 1659.4
    cyclopentyl methyl ether 3491.83
    gamma-butyrolactone 3084.28
    1-methoxy-2-propanol 2739.0
    pyridine 3204.38
    3-pentanone 1998.67
    furfural 2258.0
    n-dodecane 168.64
    diethylene glycol 1451.58
    diisopropyl ether 1597.4
    tert-amyl alcohol 5205.84
    acetylacetone 2015.76
    n-hexadecane 196.22
    acetophenone 1276.46
    methyl propionate 1856.3
    isopentyl acetate 2818.58
    trichloroethylene 4397.28
    n-nonanol 1337.62
    cyclohexanol 4308.22
    benzyl alcohol 1352.39
    2-ethylhexanol 2191.34
    isooctanol 1162.13
    dipropyl ether 1966.73
    1,2-dichlorobenzene 1678.35
    ethyl lactate 644.28
    propylene carbonate 1852.25
    n-methylformamide 1338.45
    2-pentanol 3233.91
    n-pentane 1087.96
    1-propoxy-2-propanol 2503.78
    1-methoxy-2-propyl acetate 1957.6
    2-(2-methoxypropoxy) propanol 1386.35
    mesitylene 982.96
    ε-caprolactone 3977.04
    p-cymene 690.73
    epichlorohydrin 3542.15
    1,1,1-trichloroethane 4238.87
    2-aminoethanol 1224.04
    morpholine-4-carbaldehyde 2868.8
    sulfolane 2921.12
    2,2,4-trimethylpentane 542.61
    2-methyltetrahydrofuran 5704.8
    n-hexyl acetate 2781.96
    isooctane 393.01
    2-(2-butoxyethoxy)ethanol 1961.97
    sec-butyl acetate 1536.02
    tert-butyl acetate 2373.81
    decalin 746.55
    glycerin 886.25
    diglyme 2926.57
    acrylic acid 1113.44
    isopropyl myristate 866.33
    n-butyric acid 3264.24
    acetyl acetate 1417.94
    di(2-ethylhexyl) phthalate 703.89
    ethyl propionate 1479.53
    nitromethane 1909.22
    1,2-diethoxyethane 2328.3
    benzonitrile 1863.78
    trioctyl phosphate 554.12
    1-bromopropane 3441.87
    gamma-valerolactone 4077.46
    n-decanol 929.29
    triethyl phosphate 550.32
    4-methyl-2-pentanol 1841.28
    propionitrile 2491.13
    vinylene carbonate 1571.27
    1,1,2-trichlorotrifluoroethane 2200.38
    DMS 1206.05
    cumene 869.94
    2-octanol 1245.88
    2-hexanone 2222.8
    octyl acetate 1103.59
    limonene 1327.95
    1,2-dimethoxyethane 3787.22
    ethyl orthosilicate 620.01
    tributyl phosphate 687.44
    diacetone alcohol 2075.44
    N,N-dimethylaniline 1167.55
    acrylonitrile 1987.84
    aniline 2022.65
    1,3-propanediol 1760.72
    bromobenzene 2415.5
    dibromomethane 3762.46
    1,1,2,2-tetrachloroethane 4697.91
    2-methyl-cyclohexyl acetate 1315.75
    tetrabutyl urea 799.75
    diisobutyl methanol 977.93
    2-phenylethanol 1644.75
    styrene 1460.65
    dioctyl adipate 1004.87
    dimethyl sulfate 782.64
    ethyl butyrate 1490.59
    methyl lactate 740.55
    butyl lactate 1118.78
    diethyl carbonate 807.37
    propanediol butyl ether 1627.45
    triethyl orthoformate 1007.33
    p-tert-butyltoluene 700.85
    methyl 4-tert-butylbenzoate 1168.6
    morpholine 5947.9
    tert-butylamine 4396.27
    n-dodecanol 676.03
    dimethoxymethane 1943.41
    ethylene carbonate 1631.69
    cyrene 1000.58
    2-ethoxyethyl acetate 1557.47
    2-ethylhexyl acetate 2255.2
    1,2,4-trichlorobenzene 1992.3
    4-methylpyridine 3923.99
    dibutyl ether 2071.35
    2,6-dimethyl-4-heptanol 977.93
    DEF 2780.53
    dimethyl isosorbide 1918.28
    tetrachloroethylene 2929.4
    eugenol 1045.12
    triacetin 1468.66
    span 80 1500.68
    1,4-butanediol 808.85
    1,1-dichloroethane 4513.84
    2-methyl-1-pentanol 2787.99
    methyl formate 891.2
    2-methyl-1-butanol 3724.16
    n-decane 326.05
    butyronitrile 3146.85
    3,7-dimethyl-1-octanol 1649.31
    1-chlorooctane 1210.61
    1-chlorotetradecane 411.95
    n-nonane 367.82
    undecane 221.55
    tert-butylcyclohexane 716.0
    cyclooctane 567.08
    cyclopentanol 3601.85
    tetrahydropyran 6829.67
    tert-amyl methyl ether 3794.02
    2,5,8-trioxanonane 1845.77
    1-hexene 3938.11
    2-isopropoxyethanol 1633.72
    2,2,2-trifluoroethanol 467.85
    methyl butyrate 2047.69

    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