Isooctyl decanoate

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  • Identifiers

    CAS number
    84713-05-3

    Molecular formula
    C18H36O2

    SMILES
    CCCCCCCCCC(=O)OCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Oily 68.86%
    Waxy 55.1%
    Fruity 55.07%
    Fatty 53.91%
    Floral 48.86%
    Winey 43.56%
    Rose 41.25%
    Cognac 39.17%
    Herbal 36.67%
    Sweet 36.46%

     

    Flavor
    Waxy 60.73%
    Oily 55.68%
    Fatty 44.02%
    Soapy 42.49%
    Mild 38.08%
    Floral 37.55%
    Fruity 36.79%
    Coconut 34.42%
    Creamy 31.71%
    Fat 31.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.38 (neutral)

    Molecular weight
    284.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point

    • 143.87 ˚C est.

  • Synonyms

    • Isooctyl decanoate
    • 84713-05-3
    • EINECS 283-796-4
    • DTXSID20233732
    • RefChem:149659
    • DTXCID50156223
    • 283-796-4
    • 6-METHYLHEPTYL DECANOATE
    • SCHEMBL333108
    • JCVISYMLIJSRBE-UHFFFAOYSA-N
    • NS00038634
    • 84713-05-3

  • Applications

    Isooctyl decanoate (CAS 84713-05-3) is a fatty ester commonly used as an emollient in cosmetics and personal care products, providing slip and a smooth skin feel. It is also employed as a solvent or fragrance carrier in perfumery and cosmetic formulations. In industrial manufacturing, this ester can serve as a processing solvent and a plasticizer for polymers and coatings, aiding processing and material flexibility. It is sometimes used as a solvent/vehicle in coatings, inks, and adhesives formulations. Depending on regional regulations, it may be used in cleaning or household product formulations as a non-volatile solvent and conditioning agent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4077.17
    methanol 2889.18
    isopropanol 4505.26
    water 0.04
    ethyl acetate 9009.02
    n-propanol 4076.56
    acetone 9158.41
    n-butanol 4016.39
    acetonitrile 3009.52
    DMF 5575.12
    toluene 2594.07
    isobutanol 3479.88
    1,4-dioxane 5777.12
    methyl acetate 4451.22
    THF 10764.9
    2-butanone 8017.56
    n-pentanol 2632.79
    sec-butanol 4229.01
    n-hexane 1358.33
    ethylene glycol 99.31
    NMP 5650.32
    cyclohexane 2623.46
    DMSO 6214.54
    n-butyl acetate 6761.85
    n-octanol 1337.99
    chloroform 9464.82
    n-propyl acetate 7356.1
    acetic acid 2038.71
    dichloromethane 10047.55
    cyclohexanone 13586.44
    propylene glycol 385.09
    isopropyl acetate 6560.38
    DMAc 5289.41
    2-ethoxyethanol 3060.74
    isopentanol 4434.21
    n-heptane 631.92
    ethyl formate 2943.97
    1,2-dichloroethane 8674.71
    n-hexanol 2267.88
    2-methoxyethanol 4228.23
    isobutyl acetate 3952.24
    tetrachloromethane 2049.4
    n-pentyl acetate 5278.98
    transcutol 11366.41
    n-heptanol 1285.28
    ethylbenzene 1525.45
    MIBK 5231.26
    2-propoxyethanol 3420.02
    tert-butanol 5304.46
    MTBE 8712.1
    2-butoxyethanol 2558.3
    propionic acid 2326.14
    o-xylene 1709.71
    formic acid 253.95
    diethyl ether 8113.02
    m-xylene 1722.4
    p-xylene 2165.67
    chlorobenzene 3513.35
    dimethyl carbonate 911.67
    n-octane 229.44
    formamide 634.05
    cyclopentanone 9800.53
    2-pentanone 8765.52
    anisole 2571.18
    cyclopentyl methyl ether 7431.72
    gamma-butyrolactone 7765.66
    1-methoxy-2-propanol 4213.15
    pyridine 5987.14
    3-pentanone 4878.31
    furfural 4789.39
    n-dodecane 101.69
    diethylene glycol 1123.1
    diisopropyl ether 2701.83
    tert-amyl alcohol 4804.75
    acetylacetone 6410.83
    n-hexadecane 130.73
    acetophenone 2646.44
    methyl propionate 4375.97
    isopentyl acetate 6307.18
    trichloroethylene 12196.44
    n-nonanol 1144.05
    cyclohexanol 5342.5
    benzyl alcohol 1620.91
    2-ethylhexanol 2088.12
    isooctanol 1332.17
    dipropyl ether 4034.24
    1,2-dichlorobenzene 3401.08
    ethyl lactate 1412.81
    propylene carbonate 4434.14
    n-methylformamide 2292.53
    2-pentanol 3562.38
    n-pentane 809.71
    1-propoxy-2-propanol 3655.89
    1-methoxy-2-propyl acetate 4554.6
    2-(2-methoxypropoxy) propanol 1806.93
    mesitylene 1196.74
    ε-caprolactone 9248.55
    p-cymene 963.09
    epichlorohydrin 9160.75
    1,1,1-trichloroethane 8365.04
    2-aminoethanol 595.47
    morpholine-4-carbaldehyde 5270.82
    sulfolane 8449.74
    2,2,4-trimethylpentane 441.1
    2-methyltetrahydrofuran 11043.92
    n-hexyl acetate 5173.97
    isooctane 318.87
    2-(2-butoxyethoxy)ethanol 2828.57
    sec-butyl acetate 5291.98
    tert-butyl acetate 6793.14
    decalin 759.71
    glycerin 405.1
    diglyme 6241.82
    acrylic acid 1147.8
    isopropyl myristate 1392.6
    n-butyric acid 6284.29
    acetyl acetate 3572.81
    di(2-ethylhexyl) phthalate 900.97
    ethyl propionate 5410.35
    nitromethane 4900.08
    1,2-diethoxyethane 6186.89
    benzonitrile 2896.38
    trioctyl phosphate 716.37
    1-bromopropane 6447.5
    gamma-valerolactone 11571.99
    n-decanol 705.97
    triethyl phosphate 1302.72
    4-methyl-2-pentanol 2067.02
    propionitrile 3297.28
    vinylene carbonate 3113.24
    1,1,2-trichlorotrifluoroethane 4298.46
    DMS 2248.99
    cumene 992.62
    2-octanol 1252.09
    2-hexanone 6242.44
    octyl acetate 1636.3
    limonene 2034.67
    1,2-dimethoxyethane 7093.44
    ethyl orthosilicate 1421.29
    tributyl phosphate 1061.5
    diacetone alcohol 4706.92
    N,N-dimethylaniline 1663.43
    acrylonitrile 2745.1
    aniline 2490.88
    1,3-propanediol 1596.11
    bromobenzene 4201.58
    dibromomethane 7357.42
    1,1,2,2-tetrachloroethane 11024.44
    2-methyl-cyclohexyl acetate 2859.25
    tetrabutyl urea 1431.94
    diisobutyl methanol 1319.04
    2-phenylethanol 1611.51
    styrene 2006.81
    dioctyl adipate 1899.59
    dimethyl sulfate 1507.92
    ethyl butyrate 5207.9
    methyl lactate 1119.75
    butyl lactate 2551.63
    diethyl carbonate 2280.42
    propanediol butyl ether 1882.13
    triethyl orthoformate 2995.34
    p-tert-butyltoluene 903.75
    methyl 4-tert-butylbenzoate 2090.4
    morpholine 9650.88
    tert-butylamine 3563.58
    n-dodecanol 487.07
    dimethoxymethane 3693.41
    ethylene carbonate 3481.04
    cyrene 1377.33
    2-ethoxyethyl acetate 4746.69
    2-ethylhexyl acetate 4883.86
    1,2,4-trichlorobenzene 3551.5
    4-methylpyridine 6893.59
    dibutyl ether 4417.87
    2,6-dimethyl-4-heptanol 1319.04
    DEF 7499.9
    dimethyl isosorbide 3338.5
    tetrachloroethylene 6690.54
    eugenol 1650.4
    triacetin 3226.81
    span 80 1803.05
    1,4-butanediol 563.35
    1,1-dichloroethane 9031.69
    2-methyl-1-pentanol 2668.95
    methyl formate 1314.66
    2-methyl-1-butanol 3698.51
    n-decane 264.89
    butyronitrile 4773.58
    3,7-dimethyl-1-octanol 1664.79
    1-chlorooctane 1507.73
    1-chlorotetradecane 377.69
    n-nonane 296.19
    undecane 150.15
    tert-butylcyclohexane 597.15
    cyclooctane 586.25
    cyclopentanol 4577.74
    tetrahydropyran 13197.39
    tert-amyl methyl ether 5369.25
    2,5,8-trioxanonane 2941.06
    1-hexene 3625.36
    2-isopropoxyethanol 2779.02
    2,2,2-trifluoroethanol 574.68
    methyl butyrate 7939.26

    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