Neodecanoic acid, hexadecyl ester

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  • Identifiers

    CAS number
    67749-11-5

    Molecular formula
    C26H52O2

    SMILES
    CCCCCCCCCCCCCCCCOC(=O)C(C)(C)CCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 69.55%
    Fatty 59.52%
    Oily 55.82%
    Fruity 35.35%
    Odorless 26.16%
    Creamy 24.91%
    Sweet 24.74%
    Fresh 23.18%
    Clean 23.03%
    Milky 22.8%

     

    Flavor
    Waxy 59.55%
    Oily 42.6%
    Mild 40.6%
    Fatty 30.89%
    Alkane 29.95%
    Soapy 28.82%
    Bland 27.68%
    Fat 27.45%
    Wax 25.51%
    Slightly waxy 24.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.8

    pKa est.
    7.75 (neutral)

    Molecular weight
    396.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    421°C

    Flash point

    • 189.52 ˚C est.

  • Synonyms

    • Hexanate D
    • Neodecanoic acid, hexadecyl ester
    • Hexadecyl neodecanoate
    • Octanoic acid, 2,2-dimethyl-, hexadecyl ester
    • 67749-11-5
    • DTXSID80218020
    • RefChem:365479
    • DTXCID00140511
    • hexadecyl 2,2-dimethyloctanoate
    • SCHEMBL1490324
    • NKVQUYDKWMXNNW-UHFFFAOYSA-N
    • 88338-00-5
    • 67749-11-5

  • Applications

    Neodecanoic acid, hexadecyl ester (CAS 67749-11-5) is a waxy ester used as an emollient and conditioning agent in cosmetics and personal care formulations; it also serves as a plasticizer and processing aid for polymers and as a wax-like additive in coatings and inks to improve slip and gloss. In industrial manufacturing, it can function as a lubricant component or lubricant additive in metalworking fluids and durable coatings, and it may be employed as an intermediate in the synthesis of specialty esters. In household and cleaning products, it can contribute lubricity and texture as a waxy component in polishes and cleaners. Its use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 528.13
    methanol 471.71
    isopropanol 761.77
    water 1.98
    ethyl acetate 5313.66
    n-propanol 873.13
    acetone 2397.97
    n-butanol 1065.88
    acetonitrile 1130.38
    DMF 2808.37
    toluene 1784.55
    isobutanol 1011.9
    1,4-dioxane 3215.93
    methyl acetate 2717.85
    THF 5554.58
    2-butanone 3322.61
    n-pentanol 731.3
    sec-butanol 1224.79
    n-hexane 642.18
    ethylene glycol 35.84
    NMP 5066.51
    cyclohexane 2864.49
    DMSO 1794.19
    n-butyl acetate 4529.32
    n-octanol 1185.31
    chloroform 7355.02
    n-propyl acetate 4436.91
    acetic acid 943.4
    dichloromethane 7762.38
    cyclohexanone 8468.0
    propylene glycol 103.58
    isopropyl acetate 4680.67
    DMAc 5063.95
    2-ethoxyethanol 1196.29
    isopentanol 1442.66
    n-heptane 660.79
    ethyl formate 1720.19
    1,2-dichloroethane 5626.88
    n-hexanol 750.17
    2-methoxyethanol 1243.86
    isobutyl acetate 2943.82
    tetrachloromethane 2673.96
    n-pentyl acetate 6591.74
    transcutol 5310.6
    n-heptanol 1151.34
    ethylbenzene 1231.83
    MIBK 3538.13
    2-propoxyethanol 1235.8
    tert-butanol 1395.45
    MTBE 3430.75
    2-butoxyethanol 2088.96
    propionic acid 1268.47
    o-xylene 1603.52
    formic acid 187.55
    diethyl ether 2909.91
    m-xylene 1347.66
    p-xylene 2006.7
    chlorobenzene 2901.3
    dimethyl carbonate 1070.97
    n-octane 384.87
    formamide 473.57
    cyclopentanone 6135.71
    2-pentanone 3833.39
    anisole 2013.42
    cyclopentyl methyl ether 5036.49
    gamma-butyrolactone 6008.96
    1-methoxy-2-propanol 1534.91
    pyridine 3406.32
    3-pentanone 3482.15
    furfural 3435.05
    n-dodecane 150.24
    diethylene glycol 372.31
    diisopropyl ether 1721.99
    tert-amyl alcohol 1917.56
    acetylacetone 4167.0
    n-hexadecane 189.53
    acetophenone 2514.87
    methyl propionate 3123.95
    isopentyl acetate 4512.42
    trichloroethylene 8421.18
    n-nonanol 1135.61
    cyclohexanol 2602.9
    benzyl alcohol 971.19
    2-ethylhexanol 1123.03
    isooctanol 1334.78
    dipropyl ether 2602.26
    1,2-dichlorobenzene 3457.63
    ethyl lactate 1006.77
    propylene carbonate 4113.68
    n-methylformamide 1126.08
    2-pentanol 1207.95
    n-pentane 512.12
    1-propoxy-2-propanol 1676.47
    1-methoxy-2-propyl acetate 3107.54
    2-(2-methoxypropoxy) propanol 1220.53
    mesitylene 1119.18
    ε-caprolactone 7734.33
    p-cymene 993.09
    epichlorohydrin 5907.95
    1,1,1-trichloroethane 7602.64
    2-aminoethanol 175.08
    morpholine-4-carbaldehyde 4081.59
    sulfolane 6472.12
    2,2,4-trimethylpentane 496.17
    2-methyltetrahydrofuran 5959.17
    n-hexyl acetate 5246.66
    isooctane 287.09
    2-(2-butoxyethoxy)ethanol 1868.75
    sec-butyl acetate 3854.1
    tert-butyl acetate 5370.92
    decalin 804.05
    glycerin 163.06
    diglyme 5625.77
    acrylic acid 751.01
    isopropyl myristate 1562.27
    n-butyric acid 3301.32
    acetyl acetate 3043.1
    di(2-ethylhexyl) phthalate 851.89
    ethyl propionate 4135.16
    nitromethane 2615.61
    1,2-diethoxyethane 4159.92
    benzonitrile 1810.88
    trioctyl phosphate 807.91
    1-bromopropane 3885.86
    gamma-valerolactone 7538.42
    n-decanol 658.31
    triethyl phosphate 1584.2
    4-methyl-2-pentanol 968.34
    propionitrile 1525.55
    vinylene carbonate 3263.33
    1,1,2-trichlorotrifluoroethane 2752.91
    DMS 2419.14
    cumene 879.17
    2-octanol 1342.96
    2-hexanone 2978.69
    octyl acetate 1829.06
    limonene 1959.97
    1,2-dimethoxyethane 3653.42
    ethyl orthosilicate 1705.73
    tributyl phosphate 1113.57
    diacetone alcohol 2861.87
    N,N-dimethylaniline 1407.33
    acrylonitrile 1298.29
    aniline 1429.68
    1,3-propanediol 460.43
    bromobenzene 3627.78
    dibromomethane 5169.34
    1,1,2,2-tetrachloroethane 8060.38
    2-methyl-cyclohexyl acetate 2616.57
    tetrabutyl urea 1557.44
    diisobutyl methanol 972.36
    2-phenylethanol 886.79
    styrene 1432.05
    dioctyl adipate 1951.38
    dimethyl sulfate 1791.93
    ethyl butyrate 4274.06
    methyl lactate 801.82
    butyl lactate 2596.61
    diethyl carbonate 2160.54
    propanediol butyl ether 1177.67
    triethyl orthoformate 2874.07
    p-tert-butyltoluene 900.15
    methyl 4-tert-butylbenzoate 2652.71
    morpholine 4102.72
    tert-butylamine 1133.29
    n-dodecanol 448.75
    dimethoxymethane 2216.61
    ethylene carbonate 3626.71
    cyrene 1121.1
    2-ethoxyethyl acetate 4966.49
    2-ethylhexyl acetate 3955.68
    1,2,4-trichlorobenzene 3605.18
    4-methylpyridine 4097.65
    dibutyl ether 3517.53
    2,6-dimethyl-4-heptanol 972.36
    DEF 5333.68
    dimethyl isosorbide 2685.18
    tetrachloroethylene 5453.78
    eugenol 1638.22
    triacetin 3640.35
    span 80 1336.21
    1,4-butanediol 204.4
    1,1-dichloroethane 5360.62
    2-methyl-1-pentanol 1050.23
    methyl formate 827.06
    2-methyl-1-butanol 1379.18
    n-decane 422.81
    butyronitrile 2071.17
    3,7-dimethyl-1-octanol 1292.54
    1-chlorooctane 1719.61
    1-chlorotetradecane 436.12
    n-nonane 452.64
    undecane 225.24
    tert-butylcyclohexane 597.4
    cyclooctane 828.91
    cyclopentanol 2009.24
    tetrahydropyran 5874.84
    tert-amyl methyl ether 3234.35
    2,5,8-trioxanonane 2280.07
    1-hexene 1274.35
    2-isopropoxyethanol 1230.07
    2,2,2-trifluoroethanol 600.75
    methyl butyrate 5490.45

    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