Hexadecane, 1,1-dimethoxy-

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  • Identifiers

    CAS number
    2791-29-9

    Molecular formula
    C18H38O2

    SMILES
    CCCCCCCCCCCCCCCC(OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 66.55%
    Fatty 55.48%
    Citrus 47.57%
    Fresh 46.13%
    Oily 46.06%
    Fruity 44.49%
    Green 33.42%
    Clean 31.49%
    Floral 27.49%
    Orange 25.99%

     

    Flavor
    Waxy 62.47%
    Fatty 36.36%
    Oily 36.23%
    Mild 35.44%
    Soapy 32.08%
    Fat 30.09%
    Floral 28.58%
    Alkane 26.83%
    Clean 26.1%
    Wax 26.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    7.14 (neutral)

    Molecular weight
    286.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Flash point

    • 138.5 ˚C est.

  • Synonyms

    • 1,1-Dimethoxyhexadecane
    • Hexadecane, 1,1-dimethoxy-
    • Hexadecanal dimethyl acetal
    • MHW26B8K0A
    • Palmitaldehyde, dimethyl acetal
    • UNII-MHW26B8K0A
    • DTXSID4062644
    • 1,1-DIMETHOXYHEXADECANE/PALMITATE
    • RefChem:145949
    • DTXCID4037748
    • LACZJJJYINHZIR-UHFFFAOYSA-N
    • 2791-29-9
    • Hexadecane,1,1-dimethoxy-
    • 1,1-dimethoxy-hexadecane
    • 1,1-Dimethoxyhexadecane #
    • SCHEMBL825730
    • AKOS015843165
    • 16:0 dimethylacetal, hexadecanal-dimethylacetal, chloroform
    • 2791-29-9

  • Applications

    Hexadecane, 1,1-dimethoxy-, CAS number: 2791-29-9, is a high-boiling solvent used as a solvent and diluent in coatings, inks, and adhesives; it also serves as a processing solvent in polymer and plastics manufacturing; acts as a carrier or solvent in cosmetics and personal care formulations, including fragrance applications; used as a specialty cleaning solvent for industrial equipment and processes; may function as an intermediate or reagent in organic synthesis and in the production of plastics and other polymer materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 261.61
    methanol 184.48
    isopropanol 458.25
    water 0.04
    ethyl acetate 2880.86
    n-propanol 504.44
    acetone 1330.02
    n-butanol 726.59
    acetonitrile 656.7
    DMF 1034.79
    toluene 1031.45
    isobutanol 576.91
    1,4-dioxane 2478.13
    methyl acetate 1399.58
    THF 3968.97
    2-butanone 1760.49
    n-pentanol 488.92
    sec-butanol 724.0
    n-hexane 751.79
    ethylene glycol 15.62
    NMP 2047.26
    cyclohexane 3388.95
    DMSO 1297.27
    n-butyl acetate 3152.9
    n-octanol 549.14
    chloroform 5962.17
    n-propyl acetate 2888.05
    acetic acid 469.23
    dichloromethane 5940.95
    cyclohexanone 4902.17
    propylene glycol 51.33
    isopropyl acetate 2599.25
    DMAc 1509.33
    2-ethoxyethanol 753.37
    isopentanol 961.42
    n-heptane 1084.33
    ethyl formate 951.6
    1,2-dichloroethane 4094.8
    n-hexanol 609.78
    2-methoxyethanol 741.7
    isobutyl acetate 1835.26
    tetrachloromethane 2133.33
    n-pentyl acetate 2952.58
    transcutol 3147.02
    n-heptanol 527.5
    ethylbenzene 793.13
    MIBK 1931.24
    2-propoxyethanol 881.5
    tert-butanol 1067.99
    MTBE 2266.66
    2-butoxyethanol 1006.28
    propionic acid 589.69
    o-xylene 911.85
    formic acid 48.85
    diethyl ether 2551.77
    m-xylene 807.31
    p-xylene 1146.13
    chlorobenzene 1499.78
    dimethyl carbonate 371.11
    n-octane 334.94
    formamide 117.04
    cyclopentanone 3547.45
    2-pentanone 2267.29
    anisole 1172.85
    cyclopentyl methyl ether 3356.6
    gamma-butyrolactone 3064.43
    1-methoxy-2-propanol 882.94
    pyridine 2062.07
    3-pentanone 1973.47
    furfural 1809.49
    n-dodecane 122.84
    diethylene glycol 236.57
    diisopropyl ether 1356.02
    tert-amyl alcohol 1198.77
    acetylacetone 2175.38
    n-hexadecane 157.46
    acetophenone 1289.99
    methyl propionate 1532.64
    isopentyl acetate 2773.93
    trichloroethylene 5734.01
    n-nonanol 565.47
    cyclohexanol 1939.42
    benzyl alcohol 579.8
    2-ethylhexanol 967.75
    isooctanol 641.84
    dipropyl ether 3008.11
    1,2-dichlorobenzene 1802.7
    ethyl lactate 616.28
    propylene carbonate 1887.47
    n-methylformamide 387.76
    2-pentanol 841.51
    n-pentane 540.67
    1-propoxy-2-propanol 1337.08
    1-methoxy-2-propyl acetate 1914.59
    2-(2-methoxypropoxy) propanol 679.79
    mesitylene 728.81
    ε-caprolactone 3920.59
    p-cymene 813.47
    epichlorohydrin 3498.68
    1,1,1-trichloroethane 5331.96
    2-aminoethanol 76.69
    morpholine-4-carbaldehyde 1799.53
    sulfolane 3671.47
    2,2,4-trimethylpentane 372.06
    2-methyltetrahydrofuran 4035.33
    n-hexyl acetate 2348.44
    isooctane 257.56
    2-(2-butoxyethoxy)ethanol 1000.96
    sec-butyl acetate 2367.1
    tert-butyl acetate 3089.78
    decalin 713.87
    glycerin 82.92
    diglyme 2832.17
    acrylic acid 313.45
    isopropyl myristate 874.41
    n-butyric acid 1786.0
    acetyl acetate 1625.08
    di(2-ethylhexyl) phthalate 428.88
    ethyl propionate 2568.81
    nitromethane 1210.54
    1,2-diethoxyethane 2832.8
    benzonitrile 1045.57
    trioctyl phosphate 415.59
    1-bromopropane 3177.37
    gamma-valerolactone 3690.87
    n-decanol 364.04
    triethyl phosphate 1117.66
    4-methyl-2-pentanol 626.94
    propionitrile 975.61
    vinylene carbonate 1383.1
    1,1,2-trichlorotrifluoroethane 1757.31
    DMS 999.92
    cumene 589.51
    2-octanol 567.25
    2-hexanone 2024.99
    octyl acetate 913.8
    limonene 1656.42
    1,2-dimethoxyethane 2691.07
    ethyl orthosilicate 1248.87
    tributyl phosphate 587.53
    diacetone alcohol 1644.14
    N,N-dimethylaniline 856.25
    acrylonitrile 797.6
    aniline 815.3
    1,3-propanediol 233.87
    bromobenzene 2086.78
    dibromomethane 4321.98
    1,1,2,2-tetrachloroethane 5666.71
    2-methyl-cyclohexyl acetate 1828.86
    tetrabutyl urea 799.17
    diisobutyl methanol 891.12
    2-phenylethanol 577.94
    styrene 896.94
    dioctyl adipate 1067.9
    dimethyl sulfate 684.96
    ethyl butyrate 3274.09
    methyl lactate 367.07
    butyl lactate 1158.0
    diethyl carbonate 1589.98
    propanediol butyl ether 520.4
    triethyl orthoformate 2386.23
    p-tert-butyltoluene 769.17
    methyl 4-tert-butylbenzoate 1211.1
    morpholine 2950.6
    tert-butylamine 948.44
    n-dodecanol 272.49
    dimethoxymethane 1064.96
    ethylene carbonate 1625.46
    cyrene 684.69
    2-ethoxyethyl acetate 2202.58
    2-ethylhexyl acetate 2501.45
    1,2,4-trichlorobenzene 1893.84
    4-methylpyridine 2053.98
    dibutyl ether 2493.83
    2,6-dimethyl-4-heptanol 891.12
    DEF 2663.3
    dimethyl isosorbide 1650.06
    tetrachloroethylene 4029.36
    eugenol 752.68
    triacetin 1677.06
    span 80 771.19
    1,4-butanediol 97.44
    1,1-dichloroethane 3796.09
    2-methyl-1-pentanol 676.85
    methyl formate 315.08
    2-methyl-1-butanol 856.92
    n-decane 325.96
    butyronitrile 1368.56
    3,7-dimethyl-1-octanol 776.55
    1-chlorooctane 1079.11
    1-chlorotetradecane 319.34
    n-nonane 365.85
    undecane 182.09
    tert-butylcyclohexane 563.34
    cyclooctane 862.43
    cyclopentanol 1444.72
    tetrahydropyran 4967.39
    tert-amyl methyl ether 2104.4
    2,5,8-trioxanonane 1305.37
    1-hexene 1192.72
    2-isopropoxyethanol 781.29
    2,2,2-trifluoroethanol 228.66
    methyl butyrate 3304.5

    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