Isohexyl Caprate

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  • Identifiers

    CAS number
    138208-67-0

    Molecular formula
    C16H32O2

    SMILES
    CCCCCCCCCC(=O)OCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Oily 73.76%
    Fruity 67.11%
    Winey 57.12%
    Fatty 56.31%
    Cognac 49.05%
    Waxy 48.79%
    Floral 43.15%
    Herbal 42.63%
    Fermented 40.5%
    Rose 37.02%

     

    Flavor
    Waxy 58.43%
    Oily 54.76%
    Fruity 46.7%
    Floral 43.59%
    Soapy 42.4%
    Fatty 38.16%
    Sweet 35.31%
    Green 33.39%
    Mild 32.79%
    Coconut 31.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.57 (neutral)

    Molecular weight
    256.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point

    • 133.8 ˚C est.

  • Synonyms

    • ISOHEXYL CAPRATE
    • isohexyl decanoate
    • GU26IV4FXB
    • Decanoic acid, 4-methylpentyl ester
    • Isohexyl caprate [INCI]
    • UNII-GU26IV4FXB
    • DTXSID90623646
    • RefChem:149416
    • DTXCID70574400
    • 4-METHYLPENTYL DECANOATE
    • 138208-67-0
    • starbld0039238
    • SCHEMBL246337
    • 138208-67-0

  • Applications

    Isohexyl Caprate (CAS 138208-67-0) is the isohexyl ester of decanoic acid, a fatty acid ester commonly used as an emollient and light solvent in cosmetic and personal care formulations; in perfumery it can serve as a fragrance solvent or carrier; it is also found in household cleaning products as a mild solvent and texture modifier; in coatings, inks, and related formulations it may act as a processing aid or plasticizer to improve flow and flexibility; in polymer and plastics formulations it may function as a processing aid or plasticizer; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6085.2
    methanol 5289.97
    isopropanol 5712.54
    water 0.07
    ethyl acetate 9489.01
    n-propanol 5161.88
    acetone 11160.48
    n-butanol 5272.82
    acetonitrile 4217.5
    DMF 6645.05
    toluene 2911.33
    isobutanol 4394.72
    1,4-dioxane 6758.0
    methyl acetate 4769.02
    THF 11021.48
    2-butanone 8345.35
    n-pentanol 3251.37
    sec-butanol 4901.62
    n-hexane 1820.67
    ethylene glycol 188.14
    NMP 5379.24
    cyclohexane 2682.68
    DMSO 6769.87
    n-butyl acetate 7010.81
    n-octanol 1287.43
    chloroform 9766.19
    n-propyl acetate 6586.45
    acetic acid 2818.49
    dichloromethane 9854.11
    cyclohexanone 13012.55
    propylene glycol 543.91
    isopropyl acetate 6847.17
    DMAc 5476.69
    2-ethoxyethanol 3522.66
    isopentanol 5203.41
    n-heptane 606.65
    ethyl formate 3214.59
    1,2-dichloroethane 9044.64
    n-hexanol 3023.31
    2-methoxyethanol 5120.18
    isobutyl acetate 3817.67
    tetrachloromethane 2036.65
    n-pentyl acetate 4364.91
    transcutol 11605.2
    n-heptanol 1335.5
    ethylbenzene 1650.94
    MIBK 5148.9
    2-propoxyethanol 4168.45
    tert-butanol 6470.02
    MTBE 10061.61
    2-butoxyethanol 2618.17
    propionic acid 2700.11
    o-xylene 1823.56
    formic acid 437.12
    diethyl ether 9399.39
    m-xylene 1907.8
    p-xylene 2284.28
    chlorobenzene 3743.02
    dimethyl carbonate 975.06
    n-octane 207.67
    formamide 952.33
    cyclopentanone 9059.54
    2-pentanone 8935.78
    anisole 2712.46
    cyclopentyl methyl ether 7461.5
    gamma-butyrolactone 7102.61
    1-methoxy-2-propanol 4545.27
    pyridine 6556.91
    3-pentanone 5078.03
    furfural 4966.58
    n-dodecane 99.61
    diethylene glycol 1610.07
    diisopropyl ether 2880.34
    tert-amyl alcohol 5579.13
    acetylacetone 6373.56
    n-hexadecane 125.48
    acetophenone 2592.38
    methyl propionate 4428.82
    isopentyl acetate 6566.08
    trichloroethylene 12581.57
    n-nonanol 1112.26
    cyclohexanol 6016.74
    benzyl alcohol 1815.09
    2-ethylhexanol 2316.75
    isooctanol 1298.27
    dipropyl ether 3940.17
    1,2-dichlorobenzene 3466.81
    ethyl lactate 1347.95
    propylene carbonate 4105.21
    n-methylformamide 2776.1
    2-pentanol 4142.61
    n-pentane 1039.0
    1-propoxy-2-propanol 4027.84
    1-methoxy-2-propyl acetate 4527.7
    2-(2-methoxypropoxy) propanol 1945.35
    mesitylene 1281.33
    ε-caprolactone 8740.25
    p-cymene 922.89
    epichlorohydrin 8960.39
    1,1,1-trichloroethane 8686.7
    2-aminoethanol 939.33
    morpholine-4-carbaldehyde 5281.03
    sulfolane 7164.28
    2,2,4-trimethylpentane 467.42
    2-methyltetrahydrofuran 11211.79
    n-hexyl acetate 4597.66
    isooctane 358.92
    2-(2-butoxyethoxy)ethanol 2944.18
    sec-butyl acetate 5025.28
    tert-butyl acetate 6539.18
    decalin 818.31
    glycerin 600.05
    diglyme 6081.57
    acrylic acid 1472.11
    isopropyl myristate 1256.91
    n-butyric acid 6792.05
    acetyl acetate 3797.56
    di(2-ethylhexyl) phthalate 906.89
    ethyl propionate 5147.85
    nitromethane 5585.88
    1,2-diethoxyethane 6284.63
    benzonitrile 3127.41
    trioctyl phosphate 683.16
    1-bromopropane 6853.51
    gamma-valerolactone 10612.49
    n-decanol 708.17
    triethyl phosphate 1179.35
    4-methyl-2-pentanol 2246.62
    propionitrile 4058.8
    vinylene carbonate 3139.88
    1,1,2-trichlorotrifluoroethane 4386.96
    DMS 2206.66
    cumene 1043.54
    2-octanol 1165.92
    2-hexanone 6140.63
    octyl acetate 1502.81
    limonene 1903.0
    1,2-dimethoxyethane 7624.62
    ethyl orthosilicate 1315.34
    tributyl phosphate 1027.13
    diacetone alcohol 4529.6
    N,N-dimethylaniline 1697.14
    acrylonitrile 3436.11
    aniline 2876.15
    1,3-propanediol 2146.39
    bromobenzene 4339.91
    dibromomethane 7524.03
    1,1,2,2-tetrachloroethane 11202.01
    2-methyl-cyclohexyl acetate 2638.57
    tetrabutyl urea 1323.65
    diisobutyl methanol 1356.46
    2-phenylethanol 1886.37
    styrene 2258.15
    dioctyl adipate 1747.36
    dimethyl sulfate 1431.61
    ethyl butyrate 4661.6
    methyl lactate 1162.13
    butyl lactate 2230.83
    diethyl carbonate 2095.83
    propanediol butyl ether 1890.87
    triethyl orthoformate 2693.56
    p-tert-butyltoluene 874.91
    methyl 4-tert-butylbenzoate 1909.33
    morpholine 10654.71
    tert-butylamine 4365.17
    n-dodecanol 500.2
    dimethoxymethane 3973.92
    ethylene carbonate 3446.64
    cyrene 1372.69
    2-ethoxyethyl acetate 4225.81
    2-ethylhexyl acetate 4962.99
    1,2,4-trichlorobenzene 3557.67
    4-methylpyridine 7304.07
    dibutyl ether 3922.07
    2,6-dimethyl-4-heptanol 1356.46
    DEF 7817.92
    dimethyl isosorbide 3158.95
    tetrachloroethylene 6813.14
    eugenol 1640.83
    triacetin 2782.1
    span 80 1849.91
    1,4-butanediol 759.35
    1,1-dichloroethane 9517.57
    2-methyl-1-pentanol 3135.74
    methyl formate 1586.22
    2-methyl-1-butanol 4574.43
    n-decane 243.05
    butyronitrile 5756.45
    3,7-dimethyl-1-octanol 1621.39
    1-chlorooctane 1326.24
    1-chlorotetradecane 372.23
    n-nonane 262.34
    undecane 143.33
    tert-butylcyclohexane 671.13
    cyclooctane 595.86
    cyclopentanol 4697.6
    tetrahydropyran 13712.88
    tert-amyl methyl ether 5931.61
    2,5,8-trioxanonane 3069.38
    1-hexene 4870.4
    2-isopropoxyethanol 2999.77
    2,2,2-trifluoroethanol 752.45
    methyl butyrate 7403.19

    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