Decyl isobutyrate

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  • Identifiers

    CAS number
    5454-22-8

    Molecular formula
    C14H28O2

    SMILES
    CCCCCCCCCCOC(=O)C(C)C

  • Odor profile

    Fragrance
    Fruity 74.04%
    Oily 67.03%
    Fatty 63.0%
    Waxy 59.84%
    Herbal 50.2%
    Winey 48.04%
    Green 47.6%
    Sweet 46.5%
    Floral 44.61%
    Rose 44.06%

     

    Flavor
    Fruity 73.45%
    Waxy 71.75%
    Green 57.62%
    Floral 56.29%
    Oily 52.11%
    Sweet 51.49%
    Soapy 43.88%
    Clean 39.24%
    Rose 38.14%
    Tropical 36.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.81 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    274°C

    Flash point

    • 112.94 ˚C est.

  • Synonyms

    • Decyl isobutyrate
    • Decyl 2-methylpropanoate
    • 5454-22-8
    • Propanoic acid, 2-methyl-, decyl ester
    • Isobutyric acid, decyl ester
    • Decyl isobutanoate
    • UNII-9R650V46IY
    • 9R650V46IY
    • EINECS 226-706-0
    • NSC-23060
    • WE(10:0/3:0(2Me))
    • AI3-30735
    • DTXSID7041833
    • NSC 23060
    • Decyl-iso-butyrate
    • Isobuttersauredecylester
    • Decyl 2-methylpropanoate #
    • SCHEMBL2357674
    • DTXCID5021833
    • CHEBI:179786
    • NSC23060
    • LMFA07010661
    • NS00033120
    • Q27272938
    • 226-706-0

  • Applications

    Decyl isobutyrate (CAS 5454-22-8) is an aliphatic ester commonly used in fragrance chemistry as a fragrance ingredient and fixative, providing fruity, warm notes with moderate volatility; in cosmetics and personal care it acts as a solvent and fragrance carrier, helping to dissolve actives and improve texture and spread. It is also applied in household products and cleaners as a solvent/carrier for fragrances, aiding formulation of air fresheners and surface cleaners. In coatings and inks it can function as a low-volatility solvent and plasticizer-like component, helping to adjust drying and film formation. In polymers and plastics processing, it may be evaluated as a processing aid or additive to modify softness and compatibility of formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8830.65
    methanol 7247.75
    isopropanol 9966.68
    water 0.16
    ethyl acetate 16434.06
    n-propanol 8450.42
    acetone 17502.71
    n-butanol 8411.07
    acetonitrile 11863.72
    DMF 8906.49
    toluene 4739.23
    isobutanol 7414.23
    1,4-dioxane 11198.95
    methyl acetate 9798.43
    THF 13573.66
    2-butanone 14633.68
    n-pentanol 6001.99
    sec-butanol 9407.22
    n-hexane 4138.09
    ethylene glycol 236.61
    NMP 6515.35
    cyclohexane 5198.38
    DMSO 7570.46
    n-butyl acetate 14449.54
    n-octanol 3121.47
    chloroform 18735.08
    n-propyl acetate 13581.45
    acetic acid 4296.35
    dichloromethane 19038.38
    cyclohexanone 18866.75
    propylene glycol 695.88
    isopropyl acetate 11572.05
    DMAc 7090.96
    2-ethoxyethanol 5804.28
    isopentanol 8767.23
    n-heptane 1681.62
    ethyl formate 7098.21
    1,2-dichloroethane 14087.01
    n-hexanol 5393.72
    2-methoxyethanol 7129.64
    isobutyl acetate 7265.01
    tetrachloromethane 4423.51
    n-pentyl acetate 8863.45
    transcutol 14845.22
    n-heptanol 3017.67
    ethylbenzene 3291.21
    MIBK 7788.36
    2-propoxyethanol 6434.89
    tert-butanol 12247.92
    MTBE 18129.23
    2-butoxyethanol 4468.32
    propionic acid 4601.94
    o-xylene 3004.35
    formic acid 564.95
    diethyl ether 17341.92
    m-xylene 3049.1
    p-xylene 4625.04
    chlorobenzene 6472.9
    dimethyl carbonate 1552.23
    n-octane 708.27
    formamide 1246.2
    cyclopentanone 13005.79
    2-pentanone 13795.29
    anisole 4824.11
    cyclopentyl methyl ether 10322.0
    gamma-butyrolactone 10869.36
    1-methoxy-2-propanol 6111.54
    pyridine 11186.88
    3-pentanone 8500.81
    furfural 7182.38
    n-dodecane 311.15
    diethylene glycol 1924.78
    diisopropyl ether 5402.01
    tert-amyl alcohol 10596.14
    acetylacetone 9732.64
    n-hexadecane 386.3
    acetophenone 4503.74
    methyl propionate 7586.24
    isopentyl acetate 11944.71
    trichloroethylene 20146.14
    n-nonanol 2563.32
    cyclohexanol 9257.28
    benzyl alcohol 2977.19
    2-ethylhexanol 4684.75
    isooctanol 2915.04
    dipropyl ether 8179.73
    1,2-dichlorobenzene 5572.6
    ethyl lactate 2148.93
    propylene carbonate 6391.44
    n-methylformamide 4526.72
    2-pentanol 7594.94
    n-pentane 2315.99
    1-propoxy-2-propanol 6608.04
    1-methoxy-2-propyl acetate 6856.54
    2-(2-methoxypropoxy) propanol 2630.14
    mesitylene 2061.7
    ε-caprolactone 14199.78
    p-cymene 1946.66
    epichlorohydrin 12967.33
    1,1,1-trichloroethane 16087.9
    2-aminoethanol 1186.19
    morpholine-4-carbaldehyde 7019.45
    sulfolane 8683.31
    2,2,4-trimethylpentane 1017.58
    2-methyltetrahydrofuran 15708.49
    n-hexyl acetate 8707.51
    isooctane 818.95
    2-(2-butoxyethoxy)ethanol 3976.1
    sec-butyl acetate 9312.88
    tert-butyl acetate 9976.89
    decalin 1649.75
    glycerin 694.69
    diglyme 8904.73
    acrylic acid 2369.01
    isopropyl myristate 2299.19
    n-butyric acid 11252.77
    acetyl acetate 6507.85
    di(2-ethylhexyl) phthalate 1401.97
    ethyl propionate 9617.22
    nitromethane 9711.55
    1,2-diethoxyethane 10778.01
    benzonitrile 6040.97
    trioctyl phosphate 1218.11
    1-bromopropane 11997.44
    gamma-valerolactone 14625.85
    n-decanol 1549.17
    triethyl phosphate 2009.6
    4-methyl-2-pentanol 4020.17
    propionitrile 9788.73
    vinylene carbonate 5258.33
    1,1,2-trichlorotrifluoroethane 5982.21
    DMS 3495.32
    cumene 2069.86
    2-octanol 2890.72
    2-hexanone 10744.37
    octyl acetate 2767.98
    limonene 3610.33
    1,2-dimethoxyethane 13866.83
    ethyl orthosilicate 2215.69
    tributyl phosphate 1779.64
    diacetone alcohol 6293.33
    N,N-dimethylaniline 2958.95
    acrylonitrile 7825.0
    aniline 4440.27
    1,3-propanediol 2829.11
    bromobenzene 7581.45
    dibromomethane 14825.88
    1,1,2,2-tetrachloroethane 16895.11
    2-methyl-cyclohexyl acetate 4266.84
    tetrabutyl urea 2099.53
    diisobutyl methanol 2662.25
    2-phenylethanol 2880.56
    styrene 4295.7
    dioctyl adipate 2792.39
    dimethyl sulfate 1996.59
    ethyl butyrate 9432.59
    methyl lactate 1645.77
    butyl lactate 3885.01
    diethyl carbonate 4067.95
    propanediol butyl ether 2952.48
    triethyl orthoformate 4876.56
    p-tert-butyltoluene 1725.44
    methyl 4-tert-butylbenzoate 2991.93
    morpholine 15449.79
    tert-butylamine 8711.6
    n-dodecanol 1033.52
    dimethoxymethane 6070.41
    ethylene carbonate 5790.95
    cyrene 1889.9
    2-ethoxyethyl acetate 7018.68
    2-ethylhexyl acetate 9058.84
    1,2,4-trichlorobenzene 5484.53
    4-methylpyridine 12227.13
    dibutyl ether 8171.65
    2,6-dimethyl-4-heptanol 2662.25
    DEF 12974.93
    dimethyl isosorbide 4249.04
    tetrachloroethylene 11109.0
    eugenol 2552.97
    triacetin 4163.62
    span 80 2677.29
    1,4-butanediol 1228.95
    1,1-dichloroethane 17713.97
    2-methyl-1-pentanol 5841.24
    methyl formate 2719.15
    2-methyl-1-butanol 7780.81
    n-decane 793.04
    butyronitrile 13234.84
    3,7-dimethyl-1-octanol 3317.19
    1-chlorooctane 3267.73
    1-chlorotetradecane 843.25
    n-nonane 905.33
    undecane 457.69
    tert-butylcyclohexane 1483.69
    cyclooctane 1314.81
    cyclopentanol 7079.32
    tetrahydropyran 20508.16
    tert-amyl methyl ether 10634.57
    2,5,8-trioxanonane 4142.49
    1-hexene 10483.53
    2-isopropoxyethanol 5018.57
    2,2,2-trifluoroethanol 1078.48
    methyl butyrate 14651.59

    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