Isocetyl Ethylhexanoate

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  • Identifiers

    CAS number
    125804-19-5

    Molecular formula
    C24H48O2

    SMILES
    CCCCC(CC)C(=O)OCCCCCCCCCCCCCC(C)C

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  • Odor profile

    Fragrance
    Waxy 59.34%
    Oily 51.94%
    Fatty 47.25%
    Woody 39.92%
    Fruity 37.45%
    Odorless 28.15%
    Floral 26.3%
    Herbal 25.72%
    Fresh 24.91%
    Balsamic 24.82%

     

    Flavor
    Waxy 51.41%
    Oily 45.54%
    Mild 41.43%
    Fatty 35.29%
    Bland 30.84%
    Soapy 28.34%
    Faint 27.6%
    Fat 26.14%
    Slightly waxy 24.2%
    Beer 23.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.4

    pKa est.
    7.15 (neutral)

    Molecular weight
    368.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    396°C

    Flash point

    • 174.11 ˚C est.

  • Synonyms

    • Isocetyl ethylhexanoate
    • Pelemol ICO
    • 125804-19-5
    • Isocetyl 2-ethylhexanoate
    • UNII-96EJV50H0T
    • 96EJV50H0T
    • Hexanoic acid, 2-ethyl-, isohexadecyl ester
    • RefChem:149147
    • ISOCETYL ETHYLHEXANOATE [INCI]
    • ISOCETYL ETHYLHEXANOATE, (+-)
    • 14-METHYLPENTADECYL 2-ETHYLHEXANOATE
    • Isocetyl ethylhexanoate, (+/-)
    • SCHEMBL8420597
    • DTXSID30925297
    • PHTZMGCAFZLFOL-UHFFFAOYSA-N
    • ISOCETYL ETHYLHEXANOATE, (+/-)-
    • Q27271897
    • 125804-19-5

  • Applications

    Isocetyl Ethylhexanoate (CAS 125804-19-5) is commonly used in perfumery as a fragrance ingredient and solvent, often serving as a carrier for aroma compounds and, in some formulations, as a subtle fixative to extend scent. In cosmetics and personal care, it acts as a lightweight emollient and texture enhancer in creams, lotions, lip products, and color cosmetics. In household products and cleaning formulations, it provides a pleasant odor carrier with low volatility and helps improve spreadability. In coatings, inks, and polymer formulations, it is used as a processing aid or plasticizer to improve flow, gloss, and film formation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 552.49
    methanol 411.33
    isopropanol 805.32
    water 0.26
    ethyl acetate 3369.28
    n-propanol 810.54
    acetone 2150.36
    n-butanol 1045.87
    acetonitrile 813.3
    DMF 1690.4
    toluene 1211.22
    isobutanol 916.62
    1,4-dioxane 2702.48
    methyl acetate 1670.89
    THF 5091.67
    2-butanone 2570.12
    n-pentanol 667.22
    sec-butanol 1160.56
    n-hexane 433.71
    ethylene glycol 21.0
    NMP 3406.23
    cyclohexane 2141.81
    DMSO 1464.72
    n-butyl acetate 3262.91
    n-octanol 831.94
    chloroform 5329.68
    n-propyl acetate 3289.73
    acetic acid 737.2
    dichloromethane 5673.26
    cyclohexanone 6897.17
    propylene glycol 82.19
    isopropyl acetate 2970.32
    DMAc 2736.51
    2-ethoxyethanol 970.6
    isopentanol 1384.66
    n-heptane 394.46
    ethyl formate 1182.8
    1,2-dichloroethane 4222.45
    n-hexanol 633.8
    2-methoxyethanol 971.57
    isobutyl acetate 2091.59
    tetrachloromethane 1644.59
    n-pentyl acetate 4243.48
    transcutol 4411.78
    n-heptanol 743.67
    ethylbenzene 809.67
    MIBK 2616.21
    2-propoxyethanol 1031.32
    tert-butanol 1337.32
    MTBE 2586.34
    2-butoxyethanol 1437.9
    propionic acid 850.76
    o-xylene 1034.33
    formic acid 95.57
    diethyl ether 2311.97
    m-xylene 887.2
    p-xylene 1317.99
    chlorobenzene 2073.42
    dimethyl carbonate 452.55
    n-octane 204.78
    formamide 246.66
    cyclopentanone 4993.44
    2-pentanone 3037.25
    anisole 1372.78
    cyclopentyl methyl ether 3638.46
    gamma-butyrolactone 4275.18
    1-methoxy-2-propanol 1186.64
    pyridine 2818.26
    3-pentanone 2287.16
    furfural 2409.31
    n-dodecane 88.76
    diethylene glycol 289.39
    diisopropyl ether 1133.76
    tert-amyl alcohol 1570.15
    acetylacetone 2844.28
    n-hexadecane 113.6
    acetophenone 1640.47
    methyl propionate 1783.7
    isopentyl acetate 3215.31
    trichloroethylene 6241.83
    n-nonanol 798.01
    cyclohexanol 2305.46
    benzyl alcohol 730.62
    2-ethylhexanol 858.58
    isooctanol 867.44
    dipropyl ether 1773.56
    1,2-dichlorobenzene 2152.21
    ethyl lactate 670.42
    propylene carbonate 2605.75
    n-methylformamide 674.72
    2-pentanol 1071.0
    n-pentane 354.54
    1-propoxy-2-propanol 1310.19
    1-methoxy-2-propyl acetate 2128.76
    2-(2-methoxypropoxy) propanol 888.43
    mesitylene 706.96
    ε-caprolactone 5461.6
    p-cymene 634.16
    epichlorohydrin 4626.32
    1,1,1-trichloroethane 5219.56
    2-aminoethanol 123.61
    morpholine-4-carbaldehyde 2784.23
    sulfolane 4604.67
    2,2,4-trimethylpentane 290.72
    2-methyltetrahydrofuran 5217.83
    n-hexyl acetate 3583.55
    isooctane 168.86
    2-(2-butoxyethoxy)ethanol 1439.14
    sec-butyl acetate 2627.67
    tert-butyl acetate 3406.67
    decalin 531.83
    glycerin 110.1
    diglyme 3794.79
    acrylic acid 452.09
    isopropyl myristate 1014.54
    n-butyric acid 2664.1
    acetyl acetate 1687.65
    di(2-ethylhexyl) phthalate 598.28
    ethyl propionate 2613.58
    nitromethane 1790.51
    1,2-diethoxyethane 2981.74
    benzonitrile 1305.8
    trioctyl phosphate 533.64
    1-bromopropane 3003.85
    gamma-valerolactone 5949.85
    n-decanol 471.3
    triethyl phosphate 914.93
    4-methyl-2-pentanol 780.6
    propionitrile 1077.35
    vinylene carbonate 1895.51
    1,1,2-trichlorotrifluoroethane 1991.57
    DMS 1389.91
    cumene 572.37
    2-octanol 879.78
    2-hexanone 2461.05
    octyl acetate 1219.55
    limonene 1337.75
    1,2-dimethoxyethane 2886.67
    ethyl orthosilicate 982.44
    tributyl phosphate 701.25
    diacetone alcohol 2095.37
    N,N-dimethylaniline 916.54
    acrylonitrile 868.25
    aniline 1033.63
    1,3-propanediol 391.42
    bromobenzene 2500.95
    dibromomethane 3878.6
    1,1,2,2-tetrachloroethane 5753.2
    2-methyl-cyclohexyl acetate 1828.81
    tetrabutyl urea 1038.51
    diisobutyl methanol 646.07
    2-phenylethanol 698.73
    styrene 986.38
    dioctyl adipate 1330.13
    dimethyl sulfate 822.39
    ethyl butyrate 2930.72
    methyl lactate 480.81
    butyl lactate 1751.58
    diethyl carbonate 1276.11
    propanediol butyl ether 915.09
    triethyl orthoformate 1831.13
    p-tert-butyltoluene 554.28
    methyl 4-tert-butylbenzoate 1658.58
    morpholine 3652.03
    tert-butylamine 996.96
    n-dodecanol 314.09
    dimethoxymethane 1239.58
    ethylene carbonate 2139.46
    cyrene 857.49
    2-ethoxyethyl acetate 3245.68
    2-ethylhexyl acetate 2674.28
    1,2,4-trichlorobenzene 2324.93
    4-methylpyridine 3112.28
    dibutyl ether 2559.06
    2,6-dimethyl-4-heptanol 646.07
    DEF 3501.48
    dimethyl isosorbide 1949.47
    tetrachloroethylene 3768.46
    eugenol 1121.7
    triacetin 2291.58
    span 80 1025.39
    1,4-butanediol 151.05
    1,1-dichloroethane 4116.45
    2-methyl-1-pentanol 895.85
    methyl formate 475.15
    2-methyl-1-butanol 1220.04
    n-decane 244.88
    butyronitrile 1676.56
    3,7-dimethyl-1-octanol 905.55
    1-chlorooctane 1140.25
    1-chlorotetradecane 286.92
    n-nonane 252.17
    undecane 134.1
    tert-butylcyclohexane 365.88
    cyclooctane 509.95
    cyclopentanol 1862.1
    tetrahydropyran 5516.42
    tert-amyl methyl ether 2096.74
    2,5,8-trioxanonane 1625.3
    1-hexene 1003.91
    2-isopropoxyethanol 982.51
    2,2,2-trifluoroethanol 322.11
    methyl butyrate 3580.99

    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