Fatty acids, C8-10, C12-18-alkyl esters

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  • Identifiers

    CAS number
    95912-86-0

    Molecular formula
    C42H84O4

    SMILES
    CCCCCCCCCCCCOC(=O)CCCCCCC.CCCCCCCCCCCCOC(=O)CCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 71.56%
    Fatty 69.38%
    Waxy 65.39%
    Fruity 56.35%
    Floral 42.68%
    Winey 38.63%
    Sweet 38.58%
    Cognac 37.13%
    Creamy 34.48%
    Rose 31.51%

     

    Flavor
    Waxy 70.83%
    Fatty 53.79%
    Oily 52.64%
    Soapy 45.69%
    Mild 43.28%
    Coconut 41.47%
    Sweet 39.38%
    Fat 37.99%
    Fruity 37.42%
    Creamy 36.61%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.1 (neutral)

    Molecular weight
    653.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 160.9 ˚C est.

  • Synonyms

    • 95912-86-0
    • RefChem:598022
    • DTXSID801018337
    • 692-904-2
    • dodecyl decanoate;dodecyl octanoate
    • XJFGDLJQUJQUEI-UHFFFAOYSA-N
    • C42H84O4
    • 95912-86-0

  • Applications

    Fatty acids, C8-10, C12-18-alkyl esters (CAS 95912-86-0) are commonly used as emollients and solvents in cosmetics and personal care formulations, providing slip and conditioning; they act as plasticizers and processing aids in polymers and plastics, improving flexibility and processability; they serve as solvent components and carriers in household and cleaning products; they function as lubricants and processing aids in industrial manufacturing; and in coatings, inks, and adhesives they help adjust rheology and film formation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 496.81
    methanol 434.19
    isopropanol 773.2
    water 0.07
    ethyl acetate 3210.59
    n-propanol 720.95
    acetone 2180.5
    n-butanol 895.13
    acetonitrile 843.77
    DMF 2365.89
    toluene 1058.12
    isobutanol 810.62
    1,4-dioxane 2143.46
    methyl acetate 1687.94
    THF 4545.26
    2-butanone 2478.32
    n-pentanol 586.83
    sec-butanol 935.89
    n-hexane 431.02
    ethylene glycol 25.73
    NMP 3980.77
    cyclohexane 1828.14
    DMSO 2556.94
    n-butyl acetate 3064.79
    n-octanol 607.99
    chloroform 4895.19
    n-propyl acetate 3256.69
    acetic acid 705.02
    dichloromethane 5483.45
    cyclohexanone 6648.45
    propylene glycol 93.39
    isopropyl acetate 2812.47
    DMAc 3252.6
    2-ethoxyethanol 956.46
    isopentanol 1159.03
    n-heptane 367.54
    ethyl formate 1137.91
    1,2-dichloroethane 4593.49
    n-hexanol 590.23
    2-methoxyethanol 1102.39
    isobutyl acetate 1916.74
    tetrachloromethane 1331.08
    n-pentyl acetate 3362.49
    transcutol 4635.18
    n-heptanol 516.09
    ethylbenzene 710.38
    MIBK 2406.41
    2-propoxyethanol 1058.63
    tert-butanol 1290.6
    MTBE 2426.76
    2-butoxyethanol 1183.47
    propionic acid 859.17
    o-xylene 909.61
    formic acid 98.26
    diethyl ether 2175.63
    m-xylene 782.45
    p-xylene 1159.43
    chlorobenzene 1881.94
    dimethyl carbonate 514.33
    n-octane 151.56
    formamide 270.52
    cyclopentanone 5280.11
    2-pentanone 3009.63
    anisole 1302.38
    cyclopentyl methyl ether 3421.06
    gamma-butyrolactone 4501.03
    1-methoxy-2-propanol 1266.23
    pyridine 2801.26
    3-pentanone 2257.43
    furfural 2731.37
    n-dodecane 72.8
    diethylene glycol 338.9
    diisopropyl ether 1061.63
    tert-amyl alcohol 1377.3
    acetylacetone 3044.98
    n-hexadecane 94.25
    acetophenone 1574.03
    methyl propionate 1973.83
    isopentyl acetate 2906.19
    trichloroethylene 6582.76
    n-nonanol 580.66
    cyclohexanol 2044.83
    benzyl alcohol 679.9
    2-ethylhexanol 771.45
    isooctanol 602.0
    dipropyl ether 1902.35
    1,2-dichlorobenzene 2114.79
    ethyl lactate 712.8
    propylene carbonate 2544.85
    n-methylformamide 860.44
    2-pentanol 924.72
    n-pentane 282.94
    1-propoxy-2-propanol 1321.97
    1-methoxy-2-propyl acetate 2173.22
    2-(2-methoxypropoxy) propanol 884.5
    mesitylene 628.4
    ε-caprolactone 4938.66
    p-cymene 573.99
    epichlorohydrin 4462.68
    1,1,1-trichloroethane 4762.15
    2-aminoethanol 142.1
    morpholine-4-carbaldehyde 2934.93
    sulfolane 5817.04
    2,2,4-trimethylpentane 218.2
    2-methyltetrahydrofuran 4450.33
    n-hexyl acetate 2976.07
    isooctane 135.73
    2-(2-butoxyethoxy)ethanol 1337.04
    sec-butyl acetate 2464.78
    tert-butyl acetate 3228.2
    decalin 467.73
    glycerin 137.64
    diglyme 3399.86
    acrylic acid 484.48
    isopropyl myristate 887.62
    n-butyric acid 2331.2
    acetyl acetate 1689.71
    di(2-ethylhexyl) phthalate 535.81
    ethyl propionate 2750.83
    nitromethane 1947.02
    1,2-diethoxyethane 2778.73
    benzonitrile 1335.64
    trioctyl phosphate 444.73
    1-bromopropane 2836.6
    gamma-valerolactone 5870.15
    n-decanol 358.85
    triethyl phosphate 925.82
    4-methyl-2-pentanol 647.63
    propionitrile 1111.17
    vinylene carbonate 1899.28
    1,1,2-trichlorotrifluoroethane 2276.1
    DMS 1383.57
    cumene 503.97
    2-octanol 586.55
    2-hexanone 2375.92
    octyl acetate 1029.48
    limonene 1231.92
    1,2-dimethoxyethane 2912.76
    ethyl orthosilicate 943.17
    tributyl phosphate 669.0
    diacetone alcohol 2111.48
    N,N-dimethylaniline 919.88
    acrylonitrile 1039.82
    aniline 972.26
    1,3-propanediol 392.81
    bromobenzene 2335.66
    dibromomethane 3792.3
    1,1,2,2-tetrachloroethane 6142.45
    2-methyl-cyclohexyl acetate 1698.74
    tetrabutyl urea 977.18
    diisobutyl methanol 588.09
    2-phenylethanol 664.38
    styrene 941.24
    dioctyl adipate 1233.3
    dimethyl sulfate 1021.51
    ethyl butyrate 2800.55
    methyl lactate 551.42
    butyl lactate 1534.9
    diethyl carbonate 1297.63
    propanediol butyl ether 826.76
    triethyl orthoformate 1805.46
    p-tert-butyltoluene 514.38
    methyl 4-tert-butylbenzoate 1457.94
    morpholine 3237.84
    tert-butylamine 943.43
    n-dodecanol 255.48
    dimethoxymethane 1462.7
    ethylene carbonate 2033.29
    cyrene 837.19
    2-ethoxyethyl acetate 2798.68
    2-ethylhexyl acetate 2492.29
    1,2,4-trichlorobenzene 2263.45
    4-methylpyridine 2940.01
    dibutyl ether 2291.73
    2,6-dimethyl-4-heptanol 588.09
    DEF 3700.58
    dimethyl isosorbide 1974.99
    tetrachloroethylene 4007.46
    eugenol 987.8
    triacetin 2163.14
    span 80 972.55
    1,4-butanediol 149.24
    1,1-dichloroethane 3956.66
    2-methyl-1-pentanol 740.65
    methyl formate 551.88
    2-methyl-1-butanol 1004.17
    n-decane 185.61
    butyronitrile 1523.37
    3,7-dimethyl-1-octanol 715.22
    1-chlorooctane 953.96
    1-chlorotetradecane 260.45
    n-nonane 195.08
    undecane 106.71
    tert-butylcyclohexane 322.06
    cyclooctane 401.4
    cyclopentanol 1666.14
    tetrahydropyran 4570.51
    tert-amyl methyl ether 2003.87
    2,5,8-trioxanonane 1616.23
    1-hexene 973.18
    2-isopropoxyethanol 908.6
    2,2,2-trifluoroethanol 312.63
    methyl butyrate 3770.51

    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