Hexadecane, 1,1-diethoxy-

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  • Identifiers

    CAS number
    761-60-4

    Molecular formula
    C20H42O2

    SMILES
    CCCCCCCCCCCCCCCC(OCC)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 69.0%
    Waxy 58.58%
    Fatty 58.29%
    Oily 52.46%
    Citrus 51.88%
    Fresh 47.26%
    Floral 34.48%
    Clean 31.59%
    Orange 31.02%
    Green 28.71%

     

    Flavor
    Waxy 63.06%
    Oily 40.16%
    Fatty 39.97%
    Floral 38.0%
    Soapy 36.21%
    Mild 34.43%
    Fruity 33.3%
    Clean 32.62%
    Rose 31.61%
    Mushroom 30.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.6

    pKa est.
    6.79 (neutral)

    Molecular weight
    314.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 149.19 ˚C est.

  • Synonyms

    • Hexadecane, 1,1-diethoxy-
    • 761-60-4
    • Hexadecanal diethyl acetal
    • DTXSID5061083
    • RefChem:785972
    • DTXCID8047846
    • 1,1-diethoxyhexadecane
    • Hexadecane,1,1-diethoxy-
    • hexadecanal diethylacetal
    • SCHEMBL6666312
    • SCHEMBL9629686
    • SCHEMBL27840099
    • MFCD11554512
    • AS-78245
    • D93231
    • 761-60-4

  • Applications

    Hexadecane, 1,1-diethoxy- (CAS number 761-60-4) is primarily used as a high-boiling, non-polar solvent and processing diluent in industrial applications, such as coatings, inks, adhesives, and cleaning/formulation processes. It also serves as an organic synthesis intermediate or building block for long-chain derivatives. In fragrance and cosmetics, it can function as a solvent carrier and processing aid in formulations, contributing to formulation stability and media for aromatic components. In the polymer and plastics sector, it may be used as a processing solvent or diluent in polymer production and coating formulations. In laboratory settings, it is employed as a non-polar solvent for sample preparation and analytical work.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 477.29
    methanol 299.9
    isopropanol 855.47
    water 0.09
    ethyl acetate 4690.3
    n-propanol 928.25
    acetone 2764.07
    n-butanol 1335.18
    acetonitrile 1167.84
    DMF 1922.9
    toluene 2025.66
    isobutanol 1179.65
    1,4-dioxane 4080.14
    methyl acetate 2521.21
    THF 6829.78
    2-butanone 3389.25
    n-pentanol 913.89
    sec-butanol 1436.69
    n-hexane 1964.11
    ethylene glycol 29.55
    NMP 4194.01
    cyclohexane 7795.23
    DMSO 2353.29
    n-butyl acetate 5211.71
    n-octanol 1224.51
    chloroform 9378.87
    n-propyl acetate 4886.27
    acetic acid 804.48
    dichloromethane 9687.1
    cyclohexanone 9591.13
    propylene glycol 94.1
    isopropyl acetate 4360.05
    DMAc 3018.54
    2-ethoxyethanol 1133.22
    isopentanol 1748.15
    n-heptane 2579.4
    ethyl formate 1612.54
    1,2-dichloroethane 6765.68
    n-hexanol 1114.86
    2-methoxyethanol 1119.04
    isobutyl acetate 3279.86
    tetrachloromethane 3312.5
    n-pentyl acetate 5594.15
    transcutol 4583.28
    n-heptanol 1033.98
    ethylbenzene 1548.79
    MIBK 3462.77
    2-propoxyethanol 1368.03
    tert-butanol 1687.07
    MTBE 4008.15
    2-butoxyethanol 1666.01
    propionic acid 1078.41
    o-xylene 1739.56
    formic acid 74.94
    diethyl ether 4407.15
    m-xylene 1484.37
    p-xylene 2336.16
    chlorobenzene 2956.62
    dimethyl carbonate 693.86
    n-octane 853.35
    formamide 186.08
    cyclopentanone 6698.69
    2-pentanone 4169.94
    anisole 2062.15
    cyclopentyl methyl ether 6518.95
    gamma-butyrolactone 5649.21
    1-methoxy-2-propanol 1402.14
    pyridine 3707.3
    3-pentanone 3845.21
    furfural 2961.24
    n-dodecane 334.26
    diethylene glycol 358.02
    diisopropyl ether 2530.81
    tert-amyl alcohol 2135.63
    acetylacetone 3860.07
    n-hexadecane 429.3
    acetophenone 2304.84
    methyl propionate 2742.34
    isopentyl acetate 4737.47
    trichloroethylene 8803.58
    n-nonanol 1205.44
    cyclohexanol 3597.37
    benzyl alcohol 984.77
    2-ethylhexanol 1851.43
    isooctanol 1236.37
    dipropyl ether 5377.98
    1,2-dichlorobenzene 3247.19
    ethyl lactate 1073.09
    propylene carbonate 3473.52
    n-methylformamide 722.73
    2-pentanol 1579.02
    n-pentane 1370.15
    1-propoxy-2-propanol 2032.58
    1-methoxy-2-propyl acetate 3065.84
    2-(2-methoxypropoxy) propanol 1167.56
    mesitylene 1338.57
    ε-caprolactone 7168.07
    p-cymene 1548.93
    epichlorohydrin 5648.37
    1,1,1-trichloroethane 8620.59
    2-aminoethanol 135.81
    morpholine-4-carbaldehyde 3101.65
    sulfolane 6596.73
    2,2,4-trimethylpentane 845.43
    2-methyltetrahydrofuran 7396.94
    n-hexyl acetate 4948.99
    isooctane 529.15
    2-(2-butoxyethoxy)ethanol 1650.24
    sec-butyl acetate 4034.58
    tert-butyl acetate 4919.9
    decalin 1719.58
    glycerin 135.98
    diglyme 4421.1
    acrylic acid 575.59
    isopropyl myristate 1898.61
    n-butyric acid 3045.82
    acetyl acetate 2726.71
    di(2-ethylhexyl) phthalate 879.19
    ethyl propionate 4498.17
    nitromethane 1991.44
    1,2-diethoxyethane 4746.37
    benzonitrile 1869.24
    trioctyl phosphate 882.92
    1-bromopropane 5879.43
    gamma-valerolactone 6408.6
    n-decanol 782.07
    triethyl phosphate 2043.01
    4-methyl-2-pentanol 1127.07
    propionitrile 1672.54
    vinylene carbonate 2451.15
    1,1,2-trichlorotrifluoroethane 2721.86
    DMS 2004.73
    cumene 1140.72
    2-octanol 1209.12
    2-hexanone 3669.76
    octyl acetate 1984.16
    limonene 3212.7
    1,2-dimethoxyethane 4199.69
    ethyl orthosilicate 2183.95
    tributyl phosphate 1224.15
    diacetone alcohol 2578.34
    N,N-dimethylaniline 1573.46
    acrylonitrile 1328.12
    aniline 1479.91
    1,3-propanediol 394.24
    bromobenzene 4088.02
    dibromomethane 7595.2
    1,1,2,2-tetrachloroethane 8852.16
    2-methyl-cyclohexyl acetate 3315.43
    tetrabutyl urea 1675.36
    diisobutyl methanol 1582.9
    2-phenylethanol 988.29
    styrene 1756.32
    dioctyl adipate 2251.11
    dimethyl sulfate 1235.21
    ethyl butyrate 5514.34
    methyl lactate 666.64
    butyl lactate 2250.82
    diethyl carbonate 2790.81
    propanediol butyl ether 948.34
    triethyl orthoformate 4020.82
    p-tert-butyltoluene 1395.14
    methyl 4-tert-butylbenzoate 2155.43
    morpholine 4644.01
    tert-butylamine 1538.52
    n-dodecanol 606.78
    dimethoxymethane 1763.47
    ethylene carbonate 2965.97
    cyrene 1135.67
    2-ethoxyethyl acetate 3798.63
    2-ethylhexyl acetate 4424.73
    1,2,4-trichlorobenzene 3336.71
    4-methylpyridine 3903.07
    dibutyl ether 5167.77
    2,6-dimethyl-4-heptanol 1582.9
    DEF 4902.64
    dimethyl isosorbide 2486.6
    tetrachloroethylene 6219.24
    eugenol 1305.12
    triacetin 3277.61
    span 80 1421.77
    1,4-butanediol 180.74
    1,1-dichloroethane 6582.45
    2-methyl-1-pentanol 1242.99
    methyl formate 567.31
    2-methyl-1-butanol 1662.34
    n-decane 855.51
    butyronitrile 2352.17
    3,7-dimethyl-1-octanol 1573.83
    1-chlorooctane 2434.59
    1-chlorotetradecane 795.71
    n-nonane 955.58
    undecane 488.81
    tert-butylcyclohexane 1286.44
    cyclooctane 2177.04
    cyclopentanol 2907.22
    tetrahydropyran 8786.49
    tert-amyl methyl ether 3732.53
    2,5,8-trioxanonane 2082.85
    1-hexene 2673.9
    2-isopropoxyethanol 1221.79
    2,2,2-trifluoroethanol 390.09
    methyl butyrate 5819.12

    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