Isodecyl Neopentanoate

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  • Identifiers

    CAS number
    60209-82-7

    Molecular formula
    C15H30O2

    SMILES
    CC(C)CCCCCCCOC(=O)C(C)(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 61.04%
    Fruity 53.7%
    Herbal 51.6%
    Waxy 50.2%
    Woody 49.76%
    Green 49.59%
    Oily 49.42%
    Rose 43.9%
    Fresh 41.49%
    Sweet 40.05%

     

    Flavor
    Floral 54.74%
    Green 51.61%
    Fruity 47.61%
    Waxy 44.92%
    Oily 41.93%
    Rose 34.52%
    Sweet 32.2%
    Tropical 30.36%
    Geranium 29.26%
    Mild 27.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    8.55 (weak base)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    269°C

    Flash point

    • 112.21 ˚C est.

  • Synonyms

    • Isodecyl pivalate
    • Isodecyl neopentanoate
    • 60209-82-7
    • Propanoic acid, 2,2-dimethyl-, isodecyl ester
    • 2,2-Dimethylpropanoic acid, isodecyl ester
    • W60VYE24XC
    • EINECS 262-108-6
    • EC 262-108-6
    • RefChem:791846
    • DTXSID9042330
    • ISODECYL NEOPENTANOATE [INCI]
    • 262-108-6
    • 8-methylnonyl 2,2-dimethylpropanoate
    • 1028280-25-2
    • UNII-W60VYE24XC
    • 8-Methylnonyl pivalate
    • SCHEMBL2523056
    • DTXSID00892068
    • KGKQNDQDVZQTAG-UHFFFAOYSA-N
    • NS00055660
    • Q27292369
    • 60209-82-7

  • Applications

    Isodecyl Neopentanoate (CAS 60209-82-7) is commonly used as an emollient and solvent in cosmetics and personal care products, providing a light, skin-friendly oil component in lotions, creams, and makeup bases. In perfumery and fragrance applications, it serves as a solvent and carrier for fragrance oils, aiding dissolution and even distribution of aroma compounds. It is also employed as a softening agent and processing aid in polymers and coatings, acting as a plasticizer or formulation additive for certain polymer systems and paints. As an intermediate in chemical synthesis, it can be used as a building block for other esters and related products, and in industrial formulations it can function as a solvent or carrier for active ingredients and fragrances. Formulation use should comply with local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6766.71
    methanol 4554.96
    isopropanol 7405.74
    water 0.31
    ethyl acetate 13416.19
    n-propanol 6375.94
    acetone 9080.58
    n-butanol 7251.85
    acetonitrile 6261.18
    DMF 5634.97
    toluene 4213.77
    isobutanol 6062.77
    1,4-dioxane 8724.67
    methyl acetate 6874.55
    THF 10893.1
    2-butanone 9371.35
    n-pentanol 5087.26
    sec-butanol 8092.45
    n-hexane 3874.44
    ethylene glycol 229.27
    NMP 3875.24
    cyclohexane 4114.92
    DMSO 2946.0
    n-butyl acetate 12363.33
    n-octanol 3765.85
    chloroform 14595.58
    n-propyl acetate 9145.43
    acetic acid 3476.09
    dichloromethane 12171.34
    cyclohexanone 11296.26
    propylene glycol 753.66
    isopropyl acetate 10599.82
    DMAc 5286.18
    2-ethoxyethanol 4808.48
    isopentanol 7967.57
    n-heptane 1953.41
    ethyl formate 5395.26
    1,2-dichloroethane 8479.34
    n-hexanol 6336.78
    2-methoxyethanol 5799.25
    isobutyl acetate 6397.93
    tetrachloromethane 3643.48
    n-pentyl acetate 7417.6
    transcutol 13213.57
    n-heptanol 3571.76
    ethylbenzene 3375.91
    MIBK 7098.59
    2-propoxyethanol 6435.87
    tert-butanol 9967.73
    MTBE 15295.08
    2-butoxyethanol 4820.17
    propionic acid 3344.69
    o-xylene 3142.64
    formic acid 532.39
    diethyl ether 11765.04
    m-xylene 3425.81
    p-xylene 4977.0
    chlorobenzene 4751.66
    dimethyl carbonate 1473.76
    n-octane 952.28
    formamide 899.19
    cyclopentanone 7643.93
    2-pentanone 10329.17
    anisole 4553.62
    cyclopentyl methyl ether 8055.1
    gamma-butyrolactone 7115.65
    1-methoxy-2-propanol 5616.94
    pyridine 6399.72
    3-pentanone 6229.01
    furfural 5172.87
    n-dodecane 434.73
    diethylene glycol 2012.67
    diisopropyl ether 5449.6
    tert-amyl alcohol 10196.49
    acetylacetone 7117.88
    n-hexadecane 520.75
    acetophenone 3872.13
    methyl propionate 6181.26
    isopentyl acetate 11127.02
    trichloroethylene 13493.3
    n-nonanol 3087.84
    cyclohexanol 6886.04
    benzyl alcohol 2713.41
    2-ethylhexanol 5214.17
    isooctanol 3620.0
    dipropyl ether 7259.26
    1,2-dichlorobenzene 4539.74
    ethyl lactate 2015.1
    propylene carbonate 5221.31
    n-methylformamide 2797.86
    2-pentanol 7204.12
    n-pentane 2181.75
    1-propoxy-2-propanol 6583.59
    1-methoxy-2-propyl acetate 6939.51
    2-(2-methoxypropoxy) propanol 3212.5
    mesitylene 2410.51
    ε-caprolactone 9712.99
    p-cymene 2306.93
    epichlorohydrin 9261.37
    1,1,1-trichloroethane 12673.96
    2-aminoethanol 1081.55
    morpholine-4-carbaldehyde 5686.89
    sulfolane 5261.32
    2,2,4-trimethylpentane 1319.77
    2-methyltetrahydrofuran 11700.75
    n-hexyl acetate 8533.39
    isooctane 1140.67
    2-(2-butoxyethoxy)ethanol 4819.53
    sec-butyl acetate 8428.65
    tert-butyl acetate 10090.36
    decalin 1846.54
    glycerin 675.3
    diglyme 8646.27
    acrylic acid 1678.29
    isopropyl myristate 2832.72
    n-butyric acid 8992.56
    acetyl acetate 5518.5
    di(2-ethylhexyl) phthalate 1562.95
    ethyl propionate 7563.65
    nitromethane 6011.9
    1,2-diethoxyethane 8723.27
    benzonitrile 4630.69
    trioctyl phosphate 1443.46
    1-bromopropane 8205.22
    gamma-valerolactone 9814.59
    n-decanol 2036.6
    triethyl phosphate 1958.25
    4-methyl-2-pentanol 4492.43
    propionitrile 6808.24
    vinylene carbonate 4290.19
    1,1,2-trichlorotrifluoroethane 4484.79
    DMS 3238.1
    cumene 2471.91
    2-octanol 3323.16
    2-hexanone 8122.03
    octyl acetate 3233.78
    limonene 3828.09
    1,2-dimethoxyethane 9676.87
    ethyl orthosilicate 2307.56
    tributyl phosphate 1947.09
    diacetone alcohol 6216.88
    N,N-dimethylaniline 3011.48
    acrylonitrile 4925.07
    aniline 3336.15
    1,3-propanediol 2713.61
    bromobenzene 5700.07
    dibromomethane 9346.81
    1,1,2,2-tetrachloroethane 12287.53
    2-methyl-cyclohexyl acetate 4824.37
    tetrabutyl urea 2117.57
    diisobutyl methanol 3015.79
    2-phenylethanol 3105.05
    styrene 3565.75
    dioctyl adipate 2984.58
    dimethyl sulfate 1551.32
    ethyl butyrate 7904.19
    methyl lactate 1538.61
    butyl lactate 3654.83
    diethyl carbonate 3866.45
    propanediol butyl ether 3334.29
    triethyl orthoformate 4576.81
    p-tert-butyltoluene 2191.13
    methyl 4-tert-butylbenzoate 3262.41
    morpholine 10399.12
    tert-butylamine 7607.05
    n-dodecanol 1446.04
    dimethoxymethane 4918.07
    ethylene carbonate 4471.37
    cyrene 1952.92
    2-ethoxyethyl acetate 6087.03
    2-ethylhexyl acetate 8670.42
    1,2,4-trichlorobenzene 4635.65
    4-methylpyridine 8648.81
    dibutyl ether 7140.72
    2,6-dimethyl-4-heptanol 3015.79
    DEF 8682.14
    dimethyl isosorbide 4578.38
    tetrachloroethylene 7901.49
    eugenol 2679.33
    triacetin 4007.82
    span 80 3054.47
    1,4-butanediol 1219.38
    1,1-dichloroethane 12367.17
    2-methyl-1-pentanol 5317.1
    methyl formate 1986.2
    2-methyl-1-butanol 6832.6
    n-decane 986.99
    butyronitrile 10370.73
    3,7-dimethyl-1-octanol 4314.0
    1-chlorooctane 3513.68
    1-chlorotetradecane 1062.2
    n-nonane 1126.19
    undecane 607.47
    tert-butylcyclohexane 1895.98
    cyclooctane 1441.21
    cyclopentanol 4921.04
    tetrahydropyran 13244.98
    tert-amyl methyl ether 10050.2
    2,5,8-trioxanonane 4403.62
    1-hexene 8133.3
    2-isopropoxyethanol 4457.43
    2,2,2-trifluoroethanol 909.63
    methyl butyrate 10377.57

    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