Octyldodecyl Neopentanoate

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  • Identifiers

    CAS number
    158567-66-9

    Molecular formula
    C25H50O2

    SMILES
    CCCCCCCCCCC(CCCCCCCC)COC(=O)C(C)(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 67.56%
    Fatty 56.0%
    Oily 52.07%
    Fruity 30.26%
    Odorless 26.59%
    Woody 24.73%
    Balsamic 23.6%
    Fresh 22.42%
    Milky 21.91%
    Creamy 21.83%

     

    Flavor
    Waxy 48.57%
    Mild 38.55%
    Oily 37.93%
    Bland 30.85%
    Faint 24.89%
    Balsam 24.3%
    Delicate 24.15%
    Fatty 23.83%
    Slightly waxy 23.73%
    Beer 23.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.1

    pKa est.
    7.7 (neutral)

    Molecular weight
    382.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    398°C

    Flash point

    • 170.9 ˚C est.

  • Synonyms

    • OCTYLDODECYL NEOPENTANOATE
    • 158567-66-9
    • X8725R883T
    • UNII-X8725R883T
    • NEOLITE 200P
    • 2-octyldodecyl neopentanoate
    • Neopentanoic acid, 2-octyldodecyl ester
    • DTXSID301019211
    • Propanoic acid, 2,2-dimethyl-, 2-octyldodecyl ester
    • RefChem:167915
    • DTXCID901477203
    • OCTYLDODECYL NEOPENTANOATE [INCI]
    • 2-octyldodecyl 2,2-dimethylpropanoate
    • SCHEMBL79493
    • PTPDZZWUOHQSLG-UHFFFAOYSA-N
    • Q27293671
    • 158567-66-9

  • Applications

    Octyldodecyl neopentanoate is a branched ester commonly used as a skin-conditioning emollient in cosmetics and personal care products, providing a light, non-greasy feel. It also acts as a solvent and carrier for fragrances and active ingredients in formulations, aiding spreadability and texture. In pharmaceutical topical products, it can function as an excipient/solvent to dissolve actives and improve application. It may serve as a processing aid or plasticizer in certain polymer formulations and coatings, contributing to flexibility and workability of finished materials. It is typically chosen where a stable, low-odor emollient with a pleasant skin feel is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 727.24
    methanol 470.96
    isopropanol 1002.52
    water 0.36
    ethyl acetate 6450.97
    n-propanol 1046.17
    acetone 2811.0
    n-butanol 1411.27
    acetonitrile 1235.45
    DMF 2764.05
    toluene 2441.23
    isobutanol 1199.7
    1,4-dioxane 3533.34
    methyl acetate 3011.1
    THF 6217.22
    2-butanone 3867.71
    n-pentanol 1001.75
    sec-butanol 1543.28
    n-hexane 883.09
    ethylene glycol 27.23
    NMP 4110.45
    cyclohexane 2668.65
    DMSO 1426.52
    n-butyl acetate 5849.57
    n-octanol 1439.88
    chloroform 8002.5
    n-propyl acetate 5515.24
    acetic acid 1013.55
    dichloromethane 8062.57
    cyclohexanone 8662.85
    propylene glycol 99.09
    isopropyl acetate 6135.27
    DMAc 4633.28
    2-ethoxyethanol 1471.62
    isopentanol 1960.46
    n-heptane 834.99
    ethyl formate 1871.98
    1,2-dichloroethane 5874.79
    n-hexanol 1127.62
    2-methoxyethanol 1360.18
    isobutyl acetate 3847.31
    tetrachloromethane 2298.39
    n-pentyl acetate 6917.54
    transcutol 6738.08
    n-heptanol 1388.18
    ethylbenzene 1700.58
    MIBK 4503.85
    2-propoxyethanol 1708.39
    tert-butanol 1802.04
    MTBE 4917.41
    2-butoxyethanol 2529.46
    propionic acid 1232.66
    o-xylene 2064.39
    formic acid 135.1
    diethyl ether 4069.87
    m-xylene 1895.9
    p-xylene 2678.82
    chlorobenzene 3340.18
    dimethyl carbonate 980.37
    n-octane 445.25
    formamide 349.93
    cyclopentanone 5888.03
    2-pentanone 5011.89
    anisole 2533.24
    cyclopentyl methyl ether 5576.72
    gamma-butyrolactone 5574.71
    1-methoxy-2-propanol 1855.9
    pyridine 3602.54
    3-pentanone 3854.85
    furfural 3313.66
    n-dodecane 179.76
    diethylene glycol 436.6
    diisopropyl ether 2407.16
    tert-amyl alcohol 2394.71
    acetylacetone 4807.23
    n-hexadecane 228.78
    acetophenone 2835.56
    methyl propionate 3428.72
    isopentyl acetate 6305.01
    trichloroethylene 9153.06
    n-nonanol 1390.64
    cyclohexanol 2776.27
    benzyl alcohol 1165.47
    2-ethylhexanol 1617.29
    isooctanol 1658.09
    dipropyl ether 3395.6
    1,2-dichlorobenzene 3801.31
    ethyl lactate 1055.05
    propylene carbonate 3933.75
    n-methylformamide 1045.16
    2-pentanol 1676.75
    n-pentane 677.12
    1-propoxy-2-propanol 2333.45
    1-methoxy-2-propyl acetate 4292.1
    2-(2-methoxypropoxy) propanol 1586.68
    mesitylene 1480.7
    ε-caprolactone 7774.03
    p-cymene 1405.25
    epichlorohydrin 6063.17
    1,1,1-trichloroethane 8262.0
    2-aminoethanol 158.26
    morpholine-4-carbaldehyde 3765.8
    sulfolane 5175.69
    2,2,4-trimethylpentane 646.41
    2-methyltetrahydrofuran 6726.72
    n-hexyl acetate 5848.68
    isooctane 431.61
    2-(2-butoxyethoxy)ethanol 2362.64
    sec-butyl acetate 5194.81
    tert-butyl acetate 6760.38
    decalin 984.8
    glycerin 140.43
    diglyme 6702.9
    acrylic acid 660.96
    isopropyl myristate 1898.78
    n-butyric acid 3659.46
    acetyl acetate 3548.49
    di(2-ethylhexyl) phthalate 998.9
    ethyl propionate 4921.85
    nitromethane 2646.41
    1,2-diethoxyethane 5208.7
    benzonitrile 2160.95
    trioctyl phosphate 894.79
    1-bromopropane 4530.38
    gamma-valerolactone 7221.58
    n-decanol 834.96
    triethyl phosphate 1755.71
    4-methyl-2-pentanol 1367.22
    propionitrile 1743.94
    vinylene carbonate 3058.37
    1,1,2-trichlorotrifluoroethane 2716.87
    DMS 2605.19
    cumene 1208.0
    2-octanol 1563.15
    2-hexanone 3950.32
    octyl acetate 2124.36
    limonene 2551.7
    1,2-dimethoxyethane 4375.14
    ethyl orthosilicate 1940.46
    tributyl phosphate 1225.71
    diacetone alcohol 3539.61
    N,N-dimethylaniline 1809.65
    acrylonitrile 1458.26
    aniline 1631.92
    1,3-propanediol 481.24
    bromobenzene 4190.03
    dibromomethane 5556.98
    1,1,2,2-tetrachloroethane 8668.68
    2-methyl-cyclohexyl acetate 3308.7
    tetrabutyl urea 1639.72
    diisobutyl methanol 1322.41
    2-phenylethanol 1266.93
    styrene 1902.52
    dioctyl adipate 2212.43
    dimethyl sulfate 1524.06
    ethyl butyrate 5387.3
    methyl lactate 834.1
    butyl lactate 2778.68
    diethyl carbonate 2621.73
    propanediol butyl ether 1365.33
    triethyl orthoformate 3646.39
    p-tert-butyltoluene 1276.84
    methyl 4-tert-butylbenzoate 2963.26
    morpholine 4460.85
    tert-butylamine 1450.77
    n-dodecanol 577.75
    dimethoxymethane 2335.41
    ethylene carbonate 3442.76
    cyrene 1256.86
    2-ethoxyethyl acetate 5554.86
    2-ethylhexyl acetate 5320.73
    1,2,4-trichlorobenzene 3799.74
    4-methylpyridine 4598.36
    dibutyl ether 4222.28
    2,6-dimethyl-4-heptanol 1322.41
    DEF 5913.99
    dimethyl isosorbide 3332.68
    tetrachloroethylene 5377.33
    eugenol 1879.49
    triacetin 3984.98
    span 80 1660.51
    1,4-butanediol 217.53
    1,1-dichloroethane 6318.64
    2-methyl-1-pentanol 1483.42
    methyl formate 766.68
    2-methyl-1-butanol 1779.41
    n-decane 488.36
    butyronitrile 2680.13
    3,7-dimethyl-1-octanol 1783.3
    1-chlorooctane 2038.38
    1-chlorotetradecane 538.43
    n-nonane 514.8
    undecane 269.13
    tert-butylcyclohexane 815.53
    cyclooctane 880.13
    cyclopentanol 1947.39
    tetrahydropyran 6515.22
    tert-amyl methyl ether 4219.24
    2,5,8-trioxanonane 2690.33
    1-hexene 1868.93
    2-isopropoxyethanol 1626.41
    2,2,2-trifluoroethanol 449.76
    methyl butyrate 6403.74

    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