2,6-Dimethyl-2-octyl propionate

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  • Identifiers

    CAS number
    99886-27-8

    Molecular formula
    C13H26O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 78.7%
    Fruity 67.64%
    Citrus 56.85%
    Woody 53.66%
    Fresh 52.74%
    Herbal 52.44%
    Sweet 52.08%
    Rose 49.61%
    Bergamot 40.04%
    Waxy 38.48%

     

    Flavor
    Green 60.31%
    Floral 46.43%
    Fruity 41.1%
    Waxy 39.81%
    Oily 37.85%
    Woody 35.67%
    Lily 33.96%
    Tropical 33.8%
    Citrus 33.26%
    Sweet 32.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.13 (weak base)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    229°C

    Flash point

    • 93.74 ˚C est.

  • Synonyms

    • 2,6-Dimethyl-2-octyl propionate
    • 99886-27-8
    • 2,6-dimethyloctan-2-yl propanoate
    • EINECS 309-074-1
    • DTXSID30912425
    • UXAGANHTCDZALK-UHFFFAOYSA-N
    • NS00125846
    • 99886-27-8

  • Applications

    Typically used as an odorant and fixative in perfumery; in cosmetics and personal care it serves as a fragrance ingredient and solvent carrier for active ingredients; in household products it is employed as a scent component in air fresheners, detergents, and fabric care formulations; in cleaning formulations it can act as a solvent medium for fragrances and additives, aiding formulation stability; in coatings, inks, and adhesives it may be used as a processing solvent or component that influences evaporation and film formation; and in polymer and plastics formulations it can function as a plasticizer or processing aid to modify flexibility and processing characteristics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8150.42
    methanol 7077.34
    isopropanol 8601.12
    water 0.87
    ethyl acetate 7714.16
    n-propanol 7513.89
    acetone 7791.6
    n-butanol 7579.68
    acetonitrile 4989.03
    DMF 5300.03
    toluene 3688.97
    isobutanol 7296.17
    1,4-dioxane 8247.2
    methyl acetate 4810.15
    THF 10493.55
    2-butanone 6760.68
    n-pentanol 5517.01
    sec-butanol 8456.36
    n-hexane 4497.13
    ethylene glycol 463.91
    NMP 5068.57
    cyclohexane 4122.57
    DMSO 3997.46
    n-butyl acetate 7487.83
    n-octanol 3264.94
    chloroform 12240.21
    n-propyl acetate 4427.69
    acetic acid 3542.14
    dichloromethane 8484.3
    cyclohexanone 11019.77
    propylene glycol 1309.17
    isopropyl acetate 5870.77
    DMAc 4789.42
    2-ethoxyethanol 3392.93
    isopentanol 7624.46
    n-heptane 1510.8
    ethyl formate 3219.39
    1,2-dichloroethane 5668.83
    n-hexanol 7723.95
    2-methoxyethanol 4854.23
    isobutyl acetate 3314.38
    tetrachloromethane 2548.16
    n-pentyl acetate 4221.35
    transcutol 9403.54
    n-heptanol 2859.7
    ethylbenzene 2346.59
    MIBK 4262.22
    2-propoxyethanol 6082.4
    tert-butanol 10294.98
    MTBE 12124.69
    2-butoxyethanol 3016.61
    propionic acid 3610.57
    o-xylene 2334.15
    formic acid 687.79
    diethyl ether 9398.46
    m-xylene 2551.11
    p-xylene 3234.11
    chlorobenzene 3902.14
    dimethyl carbonate 1100.13
    n-octane 587.7
    formamide 863.59
    cyclopentanone 6724.59
    2-pentanone 6668.46
    anisole 2861.88
    cyclopentyl methyl ether 7204.26
    gamma-butyrolactone 6155.55
    1-methoxy-2-propanol 4782.23
    pyridine 5728.36
    3-pentanone 4323.83
    furfural 4137.31
    n-dodecane 338.94
    diethylene glycol 2195.71
    diisopropyl ether 3684.82
    tert-amyl alcohol 9983.65
    acetylacetone 4759.33
    n-hexadecane 400.74
    acetophenone 2358.33
    methyl propionate 4054.54
    isopentyl acetate 6853.12
    trichloroethylene 8707.91
    n-nonanol 2617.27
    cyclohexanol 8478.44
    benzyl alcohol 2189.78
    2-ethylhexanol 4364.84
    isooctanol 2308.68
    dipropyl ether 4637.15
    1,2-dichlorobenzene 3081.62
    ethyl lactate 1218.8
    propylene carbonate 3967.48
    n-methylformamide 2405.73
    2-pentanol 6543.22
    n-pentane 2326.65
    1-propoxy-2-propanol 4967.08
    1-methoxy-2-propyl acetate 4321.8
    2-(2-methoxypropoxy) propanol 2327.72
    mesitylene 1774.91
    ε-caprolactone 8622.95
    p-cymene 1344.02
    epichlorohydrin 6897.94
    1,1,1-trichloroethane 7978.52
    2-aminoethanol 1636.3
    morpholine-4-carbaldehyde 5091.17
    sulfolane 5685.21
    2,2,4-trimethylpentane 1083.52
    2-methyltetrahydrofuran 11121.02
    n-hexyl acetate 6425.91
    isooctane 849.44
    2-(2-butoxyethoxy)ethanol 3539.37
    sec-butyl acetate 3745.88
    tert-butyl acetate 5830.02
    decalin 1488.29
    glycerin 1140.85
    diglyme 5503.76
    acrylic acid 1881.81
    isopropyl myristate 1847.59
    n-butyric acid 7439.53
    acetyl acetate 3370.23
    di(2-ethylhexyl) phthalate 1263.47
    ethyl propionate 3657.59
    nitromethane 4300.48
    1,2-diethoxyethane 5135.18
    benzonitrile 3497.41
    trioctyl phosphate 1085.09
    1-bromopropane 6700.49
    gamma-valerolactone 8193.09
    n-decanol 1779.42
    triethyl phosphate 1125.53
    4-methyl-2-pentanol 3583.33
    propionitrile 4832.53
    vinylene carbonate 3299.62
    1,1,2-trichlorotrifluoroethane 4032.63
    DMS 2429.66
    cumene 1612.53
    2-octanol 2563.05
    2-hexanone 5242.81
    octyl acetate 2319.33
    limonene 2778.71
    1,2-dimethoxyethane 7001.67
    ethyl orthosilicate 1282.88
    tributyl phosphate 1404.39
    diacetone alcohol 4334.52
    N,N-dimethylaniline 1972.68
    acrylonitrile 3753.15
    aniline 3291.58
    1,3-propanediol 2848.0
    bromobenzene 4384.62
    dibromomethane 7594.05
    1,1,2,2-tetrachloroethane 8533.31
    2-methyl-cyclohexyl acetate 2848.44
    tetrabutyl urea 1663.87
    diisobutyl methanol 1994.23
    2-phenylethanol 2773.63
    styrene 2674.07
    dioctyl adipate 2063.99
    dimethyl sulfate 1421.41
    ethyl butyrate 3885.67
    methyl lactate 1327.94
    butyl lactate 2417.33
    diethyl carbonate 1886.77
    propanediol butyl ether 2796.78
    triethyl orthoformate 2297.17
    p-tert-butyltoluene 1328.46
    methyl 4-tert-butylbenzoate 2132.88
    morpholine 10325.26
    tert-butylamine 8122.5
    n-dodecanol 1269.55
    dimethoxymethane 3793.07
    ethylene carbonate 3475.79
    cyrene 1631.72
    2-ethoxyethyl acetate 3438.38
    2-ethylhexyl acetate 5122.71
    1,2,4-trichlorobenzene 3463.04
    4-methylpyridine 7470.48
    dibutyl ether 4848.51
    2,6-dimethyl-4-heptanol 1994.23
    DEF 5980.81
    dimethyl isosorbide 3445.88
    tetrachloroethylene 5290.05
    eugenol 1740.36
    triacetin 2908.7
    span 80 2637.43
    1,4-butanediol 1255.9
    1,1-dichloroethane 8457.01
    2-methyl-1-pentanol 5294.55
    methyl formate 1596.03
    2-methyl-1-butanol 7167.09
    n-decane 718.69
    butyronitrile 6726.35
    3,7-dimethyl-1-octanol 3270.47
    1-chlorooctane 2500.18
    1-chlorotetradecane 797.47
    n-nonane 856.19
    undecane 456.14
    tert-butylcyclohexane 1451.23
    cyclooctane 1220.52
    cyclopentanol 6560.07
    tetrahydropyran 13584.44
    tert-amyl methyl ether 7381.69
    2,5,8-trioxanonane 3249.91
    1-hexene 8394.74
    2-isopropoxyethanol 3040.58
    2,2,2-trifluoroethanol 865.01
    methyl butyrate 5066.03

    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