2-Octanol, 2,6-dimethyl-, 2-acetate

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  • Identifiers

    CAS number
    68480-08-0

    Molecular formula
    C12H24O2

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

  • Odor profile

    Fragrance
    Floral 74.06%
    Citrus 69.95%
    Fresh 65.98%
    Woody 60.82%
    Herbal 56.99%
    Fruity 52.72%
    Sweet 50.76%
    Lavender 47.29%
    Bergamot 46.74%
    Lemon 43.83%

     

    Flavor
    Green 53.33%
    Woody 49.72%
    Floral 45.9%
    Citrus 39.62%
    Lily 34.04%
    Oily 33.41%
    Herbal 31.9%
    Sweet 31.25%
    Waxy 30.24%
    Tropical 30.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.17 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point

    • 86.33 ˚C est.

  • Synonyms

    • 68480-08-0
    • 2-Octanol, 2,6-dimethyl-, 2-acetate
    • 2,6-dimethyloctan-2-yl acetate
    • 2,6-Dimethyl-2-octanol, acetate
    • 2-Octanol, 2,6-dimethyl-, acetate
    • EINECS 270-884-2
    • DTXSID70867642
    • 2,6-Dimethyl-2-octyl acetate
    • citrus ocimenol acetate
    • SCHEMBL3507155
    • DTXCID60815814
    • UCFDRKLPNGITFF-UHFFFAOYSA-N
    • 2-Octanol,2,6-dimethyl-,2-acetate
    • NS00013217

  • Applications

    2-Octanol, 2,6-dimethyl-, 2-acetate (CAS 68480-08-0) is an acetate ester derived from a substituted 2-octanol. In practice it is used as a fragrance ingredient, providing odorant notes and serving as a lightweight fixative in perfumery. It may be employed in cosmetics and personal care products as a fragrance component, and in household products such as air fresheners for scent delivery. It also functions as an intermediate in fragrance synthesis and formulation in industrial manufacturing, and can act as a solvent or co-solvent in certain polymer coatings or ink formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4959.8
    methanol 5164.23
    isopropanol 4491.88
    water 2.58
    ethyl acetate 3542.29
    n-propanol 4131.81
    acetone 3759.35
    n-butanol 4143.7
    acetonitrile 2398.7
    DMF 3124.15
    toluene 1855.32
    isobutanol 3585.25
    1,4-dioxane 5312.81
    methyl acetate 2548.88
    THF 6728.34
    2-butanone 3142.91
    n-pentanol 2938.14
    sec-butanol 4252.48
    n-hexane 2041.02
    ethylene glycol 510.32
    NMP 3270.27
    cyclohexane 2119.24
    DMSO 2184.81
    n-butyl acetate 3106.71
    n-octanol 1671.38
    chloroform 6710.19
    n-propyl acetate 1910.93
    acetic acid 2734.61
    dichloromethane 4373.92
    cyclohexanone 5173.94
    propylene glycol 1240.56
    isopropyl acetate 2616.92
    DMAc 3079.63
    2-ethoxyethanol 2000.65
    isopentanol 3818.78
    n-heptane 770.97
    ethyl formate 1612.95
    1,2-dichloroethane 2789.74
    n-hexanol 4679.55
    2-methoxyethanol 3324.97
    isobutyl acetate 1456.15
    tetrachloromethane 1344.76
    n-pentyl acetate 1805.23
    transcutol 6320.41
    n-heptanol 1463.06
    ethylbenzene 1016.52
    MIBK 2004.77
    2-propoxyethanol 3983.08
    tert-butanol 5480.88
    MTBE 5879.24
    2-butoxyethanol 1652.0
    propionic acid 2472.2
    o-xylene 1127.11
    formic acid 738.72
    diethyl ether 4522.98
    m-xylene 1348.68
    p-xylene 1374.93
    chlorobenzene 1985.55
    dimethyl carbonate 631.21
    n-octane 256.13
    formamide 718.22
    cyclopentanone 3650.11
    2-pentanone 2971.33
    anisole 1369.11
    cyclopentyl methyl ether 4234.52
    gamma-butyrolactone 3698.08
    1-methoxy-2-propanol 3087.58
    pyridine 2933.39
    3-pentanone 2171.89
    furfural 2427.57
    n-dodecane 157.34
    diethylene glycol 1779.95
    diisopropyl ether 1778.61
    tert-amyl alcohol 4996.42
    acetylacetone 2295.07
    n-hexadecane 182.96
    acetophenone 1091.67
    methyl propionate 2220.57
    isopentyl acetate 2879.19
    trichloroethylene 4433.58
    n-nonanol 1356.38
    cyclohexanol 4840.89
    benzyl alcohol 1161.11
    2-ethylhexanol 2370.0
    isooctanol 1104.17
    dipropyl ether 2214.48
    1,2-dichlorobenzene 1444.25
    ethyl lactate 700.54
    propylene carbonate 2112.75
    n-methylformamide 1604.96
    2-pentanol 3294.96
    n-pentane 1206.56
    1-propoxy-2-propanol 3027.59
    1-methoxy-2-propyl acetate 2336.23
    2-(2-methoxypropoxy) propanol 1470.73
    mesitylene 895.6
    ε-caprolactone 4419.82
    p-cymene 630.05
    epichlorohydrin 3875.49
    1,1,1-trichloroethane 3806.98
    2-aminoethanol 1481.85
    morpholine-4-carbaldehyde 3392.55
    sulfolane 3209.1
    2,2,4-trimethylpentane 554.81
    2-methyltetrahydrofuran 6734.86
    n-hexyl acetate 3055.64
    isooctane 407.12
    2-(2-butoxyethoxy)ethanol 2238.0
    sec-butyl acetate 1631.26
    tert-butyl acetate 2799.39
    decalin 754.07
    glycerin 1128.5
    diglyme 3247.41
    acrylic acid 1371.18
    isopropyl myristate 886.23
    n-butyric acid 3955.61
    acetyl acetate 1730.76
    di(2-ethylhexyl) phthalate 699.95
    ethyl propionate 1628.55
    nitromethane 2722.78
    1,2-diethoxyethane 2603.71
    benzonitrile 1654.36
    trioctyl phosphate 544.14
    1-bromopropane 3019.91
    gamma-valerolactone 4624.32
    n-decanol 905.88
    triethyl phosphate 594.51
    4-methyl-2-pentanol 1846.3
    propionitrile 2257.29
    vinylene carbonate 1737.54
    1,1,2-trichlorotrifluoroethane 2641.35
    DMS 1306.78
    cumene 723.45
    2-octanol 1166.77
    2-hexanone 2244.19
    octyl acetate 1137.37
    limonene 1318.23
    1,2-dimethoxyethane 3656.55
    ethyl orthosilicate 667.27
    tributyl phosphate 716.62
    diacetone alcohol 2405.22
    N,N-dimethylaniline 966.82
    acrylonitrile 1842.91
    aniline 1988.48
    1,3-propanediol 2055.55
    bromobenzene 2097.69
    dibromomethane 3675.28
    1,1,2,2-tetrachloroethane 4342.22
    2-methyl-cyclohexyl acetate 1395.39
    tetrabutyl urea 851.48
    diisobutyl methanol 971.65
    2-phenylethanol 1594.69
    styrene 1176.1
    dioctyl adipate 1040.04
    dimethyl sulfate 837.94
    ethyl butyrate 1623.62
    methyl lactate 868.07
    butyl lactate 1236.56
    diethyl carbonate 860.13
    propanediol butyl ether 1740.89
    triethyl orthoformate 1133.1
    p-tert-butyltoluene 644.25
    methyl 4-tert-butylbenzoate 1123.51
    morpholine 6490.79
    tert-butylamine 4279.47
    n-dodecanol 652.1
    dimethoxymethane 2153.75
    ethylene carbonate 1776.49
    cyrene 1051.55
    2-ethoxyethyl acetate 1728.02
    2-ethylhexyl acetate 2268.43
    1,2,4-trichlorobenzene 1726.89
    4-methylpyridine 3735.42
    dibutyl ether 2227.19
    2,6-dimethyl-4-heptanol 971.65
    DEF 2937.75
    dimethyl isosorbide 2113.13
    tetrachloroethylene 2810.82
    eugenol 934.86
    triacetin 1597.59
    span 80 1569.07
    1,4-butanediol 826.14
    1,1-dichloroethane 4022.61
    2-methyl-1-pentanol 2617.96
    methyl formate 1079.46
    2-methyl-1-butanol 3760.45
    n-decane 329.63
    butyronitrile 3067.46
    3,7-dimethyl-1-octanol 1607.17
    1-chlorooctane 1130.68
    1-chlorotetradecane 377.71
    n-nonane 384.95
    undecane 213.49
    tert-butylcyclohexane 734.12
    cyclooctane 652.37
    cyclopentanol 3893.37
    tetrahydropyran 7677.77
    tert-amyl methyl ether 3880.53
    2,5,8-trioxanonane 1999.04
    1-hexene 3623.34
    2-isopropoxyethanol 1678.96
    2,2,2-trifluoroethanol 754.42
    methyl butyrate 2147.39

    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