Dodecyl isooctanoate

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  • Identifiers

    CAS number
    84878-26-2

    Molecular formula
    C20H40O2

    SMILES
    CCCCCCCCCCCCOC(=O)CCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Oily 65.26%
    Waxy 62.92%
    Fatty 58.52%
    Fruity 43.92%
    Floral 38.57%
    Winey 32.07%
    Sweet 31.81%
    Rose 30.25%
    Odorless 30.23%
    Cognac 29.9%

     

    Flavor
    Waxy 59.96%
    Oily 53.71%
    Fatty 46.47%
    Mild 40.99%
    Soapy 39.32%
    Coconut 33.89%
    Fat 33.56%
    Creamy 30.21%
    Floral 29.54%
    Fruity 27.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    7.37 (neutral)

    Molecular weight
    312.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Flash point

    • 160.93 ˚C est.

  • Synonyms

    • Dodecyl isooctanoate
    • 84878-26-2
    • EINECS 284-417-5
    • DODECYL 6-METHYLHEPTANOATE
    • SCHEMBL27173076
    • FPNFNZQZOKNVTP-UHFFFAOYSA-N
    • DTXSID301005163
    • 84878-26-2

  • Applications

    Dodecyl isooctanoate (CAS 84878-26-2) is commonly used as an emollient and solvent in cosmetics and personal care formulations, providing slip and a lightweight feel in skin creams, lotions, and makeup, and it also serves as a carrier for fragrances in perfumery. In household products it acts as a conditioning agent and solvent, contributing to formulation stability and texture in cleaners and laundry products. In industrial manufacturing it can function as a plasticizer and processing aid for polymers and coatings, helping to improve flexibility and processing. It is also employed as a solvent or cosmetic-grade excipient in topical pharmaceutical formulations. Additionally, it may be used as a component in inks and coatings where low-volatility solvents or plasticization are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 955.01
    methanol 702.11
    isopropanol 1254.98
    water 0.05
    ethyl acetate 4284.04
    n-propanol 1213.6
    acetone 3424.15
    n-butanol 1410.28
    acetonitrile 1091.55
    DMF 3197.35
    toluene 1573.9
    isobutanol 1257.17
    1,4-dioxane 2850.06
    methyl acetate 2216.07
    THF 6055.89
    2-butanone 3679.0
    n-pentanol 960.59
    sec-butanol 1509.34
    n-hexane 613.57
    ethylene glycol 41.27
    NMP 4735.57
    cyclohexane 1764.06
    DMSO 3432.54
    n-butyl acetate 3845.38
    n-octanol 748.43
    chloroform 6685.15
    n-propyl acetate 3962.46
    acetic acid 965.4
    dichloromethane 7198.73
    cyclohexanone 8366.43
    propylene glycol 157.79
    isopropyl acetate 3559.59
    DMAc 4107.98
    2-ethoxyethanol 1416.97
    isopentanol 1797.41
    n-heptane 380.74
    ethyl formate 1461.95
    1,2-dichloroethane 6039.64
    n-hexanol 946.84
    2-methoxyethanol 1712.89
    isobutyl acetate 2374.24
    tetrachloromethane 1689.82
    n-pentyl acetate 3734.57
    transcutol 6606.49
    n-heptanol 679.3
    ethylbenzene 977.73
    MIBK 3102.34
    2-propoxyethanol 1657.69
    tert-butanol 1979.49
    MTBE 3888.61
    2-butoxyethanol 1489.15
    propionic acid 1159.3
    o-xylene 1246.43
    formic acid 140.49
    diethyl ether 3228.85
    m-xylene 1111.48
    p-xylene 1456.78
    chlorobenzene 2461.8
    dimethyl carbonate 665.67
    n-octane 143.59
    formamide 373.07
    cyclopentanone 6485.86
    2-pentanone 4169.48
    anisole 1777.49
    cyclopentyl methyl ether 4583.74
    gamma-butyrolactone 5362.2
    1-methoxy-2-propanol 1948.97
    pyridine 3285.43
    3-pentanone 2968.23
    furfural 3431.26
    n-dodecane 68.39
    diethylene glycol 552.21
    diisopropyl ether 1478.13
    tert-amyl alcohol 2148.86
    acetylacetone 3963.58
    n-hexadecane 88.57
    acetophenone 1942.25
    methyl propionate 2551.79
    isopentyl acetate 3829.45
    trichloroethylene 9413.75
    n-nonanol 699.49
    cyclohexanol 2689.73
    benzyl alcohol 950.74
    2-ethylhexanol 1058.4
    isooctanol 775.68
    dipropyl ether 2223.55
    1,2-dichlorobenzene 2693.52
    ethyl lactate 901.43
    propylene carbonate 3075.35
    n-methylformamide 1132.16
    2-pentanol 1418.95
    n-pentane 384.78
    1-propoxy-2-propanol 1888.39
    1-methoxy-2-propyl acetate 2971.1
    2-(2-methoxypropoxy) propanol 1267.07
    mesitylene 854.26
    ε-caprolactone 6061.24
    p-cymene 689.13
    epichlorohydrin 5957.14
    1,1,1-trichloroethane 6323.82
    2-aminoethanol 230.65
    morpholine-4-carbaldehyde 3580.59
    sulfolane 7026.1
    2,2,4-trimethylpentane 313.9
    2-methyltetrahydrofuran 5983.57
    n-hexyl acetate 3530.84
    isooctane 197.75
    2-(2-butoxyethoxy)ethanol 1829.75
    sec-butyl acetate 3141.63
    tert-butyl acetate 4159.18
    decalin 542.28
    glycerin 200.33
    diglyme 4262.85
    acrylic acid 641.55
    isopropyl myristate 1043.01
    n-butyric acid 3024.82
    acetyl acetate 2140.46
    di(2-ethylhexyl) phthalate 679.75
    ethyl propionate 3232.54
    nitromethane 2610.86
    1,2-diethoxyethane 3467.74
    benzonitrile 1710.12
    trioctyl phosphate 526.63
    1-bromopropane 3643.86
    gamma-valerolactone 7383.47
    n-decanol 431.16
    triethyl phosphate 1052.8
    4-methyl-2-pentanol 979.36
    propionitrile 1415.98
    vinylene carbonate 2211.88
    1,1,2-trichlorotrifluoroethane 3227.67
    DMS 1725.19
    cumene 673.51
    2-octanol 721.35
    2-hexanone 3186.07
    octyl acetate 1202.2
    limonene 1436.18
    1,2-dimethoxyethane 3731.75
    ethyl orthosilicate 1105.98
    tributyl phosphate 796.9
    diacetone alcohol 2870.48
    N,N-dimethylaniline 1222.02
    acrylonitrile 1285.67
    aniline 1451.89
    1,3-propanediol 623.54
    bromobenzene 3106.96
    dibromomethane 4959.72
    1,1,2,2-tetrachloroethane 8420.59
    2-methyl-cyclohexyl acetate 2126.63
    tetrabutyl urea 1111.14
    diisobutyl methanol 763.01
    2-phenylethanol 972.72
    styrene 1226.05
    dioctyl adipate 1486.04
    dimethyl sulfate 1357.88
    ethyl butyrate 3238.39
    methyl lactate 736.37
    butyl lactate 1807.51
    diethyl carbonate 1523.18
    propanediol butyl ether 1146.49
    triethyl orthoformate 2124.25
    p-tert-butyltoluene 643.25
    methyl 4-tert-butylbenzoate 1719.84
    morpholine 4384.62
    tert-butylamine 1437.96
    n-dodecanol 300.51
    dimethoxymethane 2034.42
    ethylene carbonate 2351.42
    cyrene 1080.99
    2-ethoxyethyl acetate 3397.36
    2-ethylhexyl acetate 3220.72
    1,2,4-trichlorobenzene 2980.45
    4-methylpyridine 3940.35
    dibutyl ether 2556.77
    2,6-dimethyl-4-heptanol 763.01
    DEF 4624.59
    dimethyl isosorbide 2632.8
    tetrachloroethylene 5283.15
    eugenol 1246.97
    triacetin 2642.5
    span 80 1268.48
    1,4-butanediol 234.39
    1,1-dichloroethane 5587.09
    2-methyl-1-pentanol 1183.82
    methyl formate 730.57
    2-methyl-1-butanol 1579.4
    n-decane 176.07
    butyronitrile 1965.34
    3,7-dimethyl-1-octanol 976.03
    1-chlorooctane 1044.17
    1-chlorotetradecane 274.0
    n-nonane 187.72
    undecane 100.3
    tert-butylcyclohexane 404.87
    cyclooctane 422.76
    cyclopentanol 2205.33
    tetrahydropyran 6014.93
    tert-amyl methyl ether 3017.19
    2,5,8-trioxanonane 2075.32
    1-hexene 1505.94
    2-isopropoxyethanol 1383.0
    2,2,2-trifluoroethanol 401.94
    methyl butyrate 4473.63

    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