Octan-2-YL 2-methylpropanoate

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  • Identifiers

    CAS number
    84782-06-9

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCC(C)OC(=O)C(C)C

  • Odor profile

    Fragrance
    Fruity 91.4%
    Green 74.31%
    Floral 59.28%
    Herbal 58.81%
    Waxy 55.47%
    Apple 51.95%
    Fatty 47.34%
    Oily 46.58%
    Tropical 45.75%
    Pear 42.25%

     

    Flavor
    Fruity 82.54%
    Green 69.97%
    Tropical 47.43%
    Waxy 47.37%
    Floral 44.09%
    Oily 41.85%
    Apple 40.05%
    Sweet 38.55%
    Pear 32.89%
    Berry 31.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.38 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 86.33 ˚C est.

  • Synonyms

    • OCTAN-2-YL 2-METHYLPROPANOATE
    • 84782-06-9
    • SCHEMBL7223847
    • DTXSID40827435

  • Applications

    Octan-2-YL 2-methylpropanoate (CAS 84782-06-9) is an ester used in fragrance formulations as a fragrance ingredient and odorant delivery solvent, contributing fruity notes and carrying aroma compounds. In cosmetics and personal care, it serves as a fragrance component and carrier solvent in formulations such as lotions and creams. In household products, it is employed as a fragrance additive and solvent for cleaners and detergents. In industrial manufacturing and coatings/inks, it functions as a processing solvent and medium for resin systems, and in polymers/plastics it may act as a plasticizer or processing aid. Use is typically formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14743.64
    methanol 12837.42
    isopropanol 17245.26
    water 0.86
    ethyl acetate 16873.49
    n-propanol 13418.57
    acetone 23674.9
    n-butanol 12974.67
    acetonitrile 16121.37
    DMF 14253.8
    toluene 6379.24
    isobutanol 13363.43
    1,4-dioxane 13419.31
    methyl acetate 11666.73
    THF 15627.26
    2-butanone 16966.08
    n-pentanol 9255.42
    sec-butanol 16544.29
    n-hexane 7533.76
    ethylene glycol 822.81
    NMP 9616.87
    cyclohexane 6296.23
    DMSO 10485.58
    n-butyl acetate 17207.69
    n-octanol 5421.13
    chloroform 25210.43
    n-propyl acetate 11967.4
    acetic acid 7933.55
    dichloromethane 20477.4
    cyclohexanone 21539.8
    propylene glycol 1906.02
    isopropyl acetate 12451.8
    DMAc 9765.96
    2-ethoxyethanol 6835.11
    isopentanol 13617.21
    n-heptane 2333.57
    ethyl formate 8330.78
    1,2-dichloroethane 14729.53
    n-hexanol 10063.59
    2-methoxyethanol 9448.82
    isobutyl acetate 7135.67
    tetrachloromethane 5893.82
    n-pentyl acetate 9392.76
    transcutol 16990.7
    n-heptanol 4727.81
    ethylbenzene 4582.73
    MIBK 9150.95
    2-propoxyethanol 9383.04
    tert-butanol 19204.62
    MTBE 24267.32
    2-butoxyethanol 5962.38
    propionic acid 7705.56
    o-xylene 4313.1
    formic acid 1334.51
    diethyl ether 19095.58
    m-xylene 4377.06
    p-xylene 6440.25
    chlorobenzene 8635.33
    dimethyl carbonate 2379.12
    n-octane 1098.36
    formamide 2069.19
    cyclopentanone 15853.77
    2-pentanone 16123.97
    anisole 5776.81
    cyclopentyl methyl ether 11344.99
    gamma-butyrolactone 13110.93
    1-methoxy-2-propanol 8238.51
    pyridine 13078.3
    3-pentanone 9645.49
    furfural 9302.34
    n-dodecane 588.37
    diethylene glycol 3405.93
    diisopropyl ether 6668.69
    tert-amyl alcohol 18293.9
    acetylacetone 11179.76
    n-hexadecane 711.15
    acetophenone 5442.47
    methyl propionate 8741.03
    isopentyl acetate 14352.06
    trichloroethylene 23097.14
    n-nonanol 4230.8
    cyclohexanol 13545.78
    benzyl alcohol 4276.78
    2-ethylhexanol 7043.12
    isooctanol 4205.22
    dipropyl ether 8611.9
    1,2-dichlorobenzene 6969.95
    ethyl lactate 2551.7
    propylene carbonate 7863.74
    n-methylformamide 6573.66
    2-pentanol 12459.2
    n-pentane 4002.86
    1-propoxy-2-propanol 8561.84
    1-methoxy-2-propyl acetate 7466.53
    2-(2-methoxypropoxy) propanol 3710.66
    mesitylene 2954.8
    ε-caprolactone 15885.55
    p-cymene 2595.18
    epichlorohydrin 14322.04
    1,1,1-trichloroethane 18955.58
    2-aminoethanol 2788.64
    morpholine-4-carbaldehyde 8798.54
    sulfolane 11694.27
    2,2,4-trimethylpentane 1781.35
    2-methyltetrahydrofuran 17973.13
    n-hexyl acetate 11344.64
    isooctane 1331.59
    2-(2-butoxyethoxy)ethanol 5398.87
    sec-butyl acetate 8425.24
    tert-butyl acetate 10304.17
    decalin 2407.71
    glycerin 1730.46
    diglyme 10059.92
    acrylic acid 4540.41
    isopropyl myristate 3148.43
    n-butyric acid 15104.44
    acetyl acetate 7030.28
    di(2-ethylhexyl) phthalate 2068.75
    ethyl propionate 8482.16
    nitromethane 12444.05
    1,2-diethoxyethane 10879.72
    benzonitrile 8227.01
    trioctyl phosphate 1790.65
    1-bromopropane 14018.74
    gamma-valerolactone 15739.5
    n-decanol 2769.66
    triethyl phosphate 2175.19
    4-methyl-2-pentanol 6118.53
    propionitrile 13125.96
    vinylene carbonate 6901.16
    1,1,2-trichlorotrifluoroethane 8044.93
    DMS 4557.62
    cumene 2968.47
    2-octanol 4517.47
    2-hexanone 12678.49
    octyl acetate 3919.45
    limonene 4759.81
    1,2-dimethoxyethane 14408.39
    ethyl orthosilicate 2419.16
    tributyl phosphate 2487.1
    diacetone alcohol 7489.08
    N,N-dimethylaniline 3898.38
    acrylonitrile 11256.99
    aniline 6226.48
    1,3-propanediol 5038.29
    bromobenzene 10000.96
    dibromomethane 17169.08
    1,1,2,2-tetrachloroethane 20956.94
    2-methyl-cyclohexyl acetate 4857.58
    tetrabutyl urea 2925.0
    diisobutyl methanol 3538.36
    2-phenylethanol 4438.94
    styrene 5515.86
    dioctyl adipate 3465.53
    dimethyl sulfate 3154.36
    ethyl butyrate 8426.13
    methyl lactate 2462.58
    butyl lactate 4844.08
    diethyl carbonate 4094.59
    propanediol butyl ether 4866.23
    triethyl orthoformate 4447.49
    p-tert-butyltoluene 2389.83
    methyl 4-tert-butylbenzoate 3844.48
    morpholine 16817.72
    tert-butylamine 14225.8
    n-dodecanol 1954.87
    dimethoxymethane 7532.06
    ethylene carbonate 6984.69
    cyrene 2636.16
    2-ethoxyethyl acetate 7282.31
    2-ethylhexyl acetate 10654.99
    1,2,4-trichlorobenzene 7097.95
    4-methylpyridine 15880.19
    dibutyl ether 9628.18
    2,6-dimethyl-4-heptanol 3538.36
    DEF 14448.36
    dimethyl isosorbide 5351.55
    tetrachloroethylene 13477.69
    eugenol 3392.39
    triacetin 4914.01
    span 80 3955.37
    1,4-butanediol 2484.64
    1,1-dichloroethane 21427.87
    2-methyl-1-pentanol 9586.27
    methyl formate 4404.22
    2-methyl-1-butanol 12525.57
    n-decane 1288.36
    butyronitrile 17304.68
    3,7-dimethyl-1-octanol 5335.26
    1-chlorooctane 4761.66
    1-chlorotetradecane 1374.76
    n-nonane 1498.6
    undecane 823.59
    tert-butylcyclohexane 2297.55
    cyclooctane 1783.92
    cyclopentanol 10919.74
    tetrahydropyran 22167.66
    tert-amyl methyl ether 13886.5
    2,5,8-trioxanonane 5151.15
    1-hexene 15933.59
    2-isopropoxyethanol 5881.93
    2,2,2-trifluoroethanol 1914.73
    methyl butyrate 13872.94

    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