Pentadecane, 1,1-dimethoxy-

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  • Identifiers

    CAS number
    52517-73-4

    Molecular formula
    C17H36O2

    SMILES
    CCCCCCCCCCCCCCC(OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 65.85%
    Fatty 55.69%
    Citrus 54.24%
    Fresh 50.59%
    Fruity 48.54%
    Oily 46.04%
    Green 39.42%
    Clean 33.37%
    Floral 32.47%
    Orange 30.38%

     

    Flavor
    Waxy 62.98%
    Oily 37.53%
    Fatty 36.99%
    Mild 34.85%
    Soapy 33.62%
    Floral 32.11%
    Fat 30.59%
    Clean 28.44%
    Mushroom 26.14%
    Flower 26.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.12 (neutral)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 131.16 ˚C est.

  • Synonyms

    • Pentadecane, 1,1-dimethoxy-
    • 52517-73-4
    • DTXSID70456313
    • RefChem:367970
    • DTXCID60407132
    • 1,1-dimethoxypentadecane
    • Pentadecanal dimethylacetal
    • 1,1-dimethoxy-pentadecane
    • pentadecanal dimethyl acetal
    • 52517-73-4

  • Applications

    Pentadecane, 1,1-dimethoxy- (CAS 52517-73-4) is an organic compound that is typically used as a solvent and processing aid in industrial formulations. In practice, it may serve as a solvent or carrier in coatings and inks, and as a processing aid or plasticizer in polymers and protective films. It is also evaluated as an organic-synthesis intermediate for preparing higher-value specialty chemicals. Additionally, due to its mild polarity and stability, it can function as a solvent component in cosmetics/personal care formulations and fragrance applications, and may be incorporated in cleaning formulations and household products where a non-polar diluent is desired. Use and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 475.45
    methanol 314.65
    isopropanol 807.43
    water 0.04
    ethyl acetate 4063.79
    n-propanol 850.16
    acetone 2041.56
    n-butanol 1178.3
    acetonitrile 1060.62
    DMF 1408.85
    toluene 1454.58
    isobutanol 915.28
    1,4-dioxane 3562.24
    methyl acetate 1996.92
    THF 5368.47
    2-butanone 2527.14
    n-pentanol 772.6
    sec-butanol 1148.72
    n-hexane 1173.33
    ethylene glycol 24.89
    NMP 2462.68
    cyclohexane 4652.16
    DMSO 1795.84
    n-butyl acetate 4333.26
    n-octanol 738.63
    chloroform 7762.61
    n-propyl acetate 3852.08
    acetic acid 678.9
    dichloromethane 7676.31
    cyclohexanone 6502.92
    propylene glycol 80.38
    isopropyl acetate 3500.0
    DMAc 1849.36
    2-ethoxyethanol 1097.01
    isopentanol 1467.48
    n-heptane 1536.63
    ethyl formate 1359.9
    1,2-dichloroethane 5476.65
    n-hexanol 970.47
    2-methoxyethanol 1094.32
    isobutyl acetate 2355.81
    tetrachloromethane 2755.08
    n-pentyl acetate 3672.14
    transcutol 4198.71
    n-heptanol 731.88
    ethylbenzene 1068.91
    MIBK 2517.1
    2-propoxyethanol 1306.88
    tert-butanol 1703.83
    MTBE 3383.7
    2-butoxyethanol 1335.44
    propionic acid 862.91
    o-xylene 1190.93
    formic acid 67.55
    diethyl ether 3853.51
    m-xylene 1079.47
    p-xylene 1514.52
    chlorobenzene 1999.89
    dimethyl carbonate 475.89
    n-octane 455.85
    formamide 160.14
    cyclopentanone 4585.02
    2-pentanone 3179.28
    anisole 1528.68
    cyclopentyl methyl ether 4523.61
    gamma-butyrolactone 3899.08
    1-methoxy-2-propanol 1270.19
    pyridine 2899.89
    3-pentanone 2656.61
    furfural 2292.89
    n-dodecane 165.71
    diethylene glycol 342.89
    diisopropyl ether 1911.27
    tert-amyl alcohol 1802.94
    acetylacetone 2803.33
    n-hexadecane 210.61
    acetophenone 1611.1
    methyl propionate 2086.41
    isopentyl acetate 3714.86
    trichloroethylene 7496.12
    n-nonanol 748.35
    cyclohexanol 2781.83
    benzyl alcohol 787.93
    2-ethylhexanol 1383.67
    isooctanol 856.14
    dipropyl ether 4168.64
    1,2-dichlorobenzene 2263.35
    ethyl lactate 782.8
    propylene carbonate 2369.31
    n-methylformamide 553.35
    2-pentanol 1316.09
    n-pentane 852.87
    1-propoxy-2-propanol 1887.74
    1-methoxy-2-propyl acetate 2496.26
    2-(2-methoxypropoxy) propanol 847.53
    mesitylene 950.36
    ε-caprolactone 5134.6
    p-cymene 1035.13
    epichlorohydrin 4545.18
    1,1,1-trichloroethane 6909.07
    2-aminoethanol 121.7
    morpholine-4-carbaldehyde 2304.41
    sulfolane 4379.44
    2,2,4-trimethylpentane 499.09
    2-methyltetrahydrofuran 5575.27
    n-hexyl acetate 2994.73
    isooctane 360.88
    2-(2-butoxyethoxy)ethanol 1281.98
    sec-butyl acetate 3122.92
    tert-butyl acetate 4016.97
    decalin 955.01
    glycerin 118.34
    diglyme 3575.32
    acrylic acid 448.15
    isopropyl myristate 1090.79
    n-butyric acid 2519.79
    acetyl acetate 2137.36
    di(2-ethylhexyl) phthalate 527.27
    ethyl propionate 3397.05
    nitromethane 1697.84
    1,2-diethoxyethane 3827.47
    benzonitrile 1451.66
    trioctyl phosphate 515.25
    1-bromopropane 4459.2
    gamma-valerolactone 4741.72
    n-decanol 483.66
    triethyl phosphate 1349.76
    4-methyl-2-pentanol 912.87
    propionitrile 1517.04
    vinylene carbonate 1742.7
    1,1,2-trichlorotrifluoroethane 2268.38
    DMS 1240.81
    cumene 771.61
    2-octanol 768.82
    2-hexanone 2697.85
    octyl acetate 1137.5
    limonene 2135.29
    1,2-dimethoxyethane 3690.38
    ethyl orthosilicate 1537.53
    tributyl phosphate 727.85
    diacetone alcohol 2137.67
    N,N-dimethylaniline 1086.4
    acrylonitrile 1194.93
    aniline 1168.13
    1,3-propanediol 357.31
    bromobenzene 2737.46
    dibromomethane 5740.31
    1,1,2,2-tetrachloroethane 7277.02
    2-methyl-cyclohexyl acetate 2255.0
    tetrabutyl urea 975.66
    diisobutyl methanol 1206.78
    2-phenylethanol 787.64
    styrene 1232.66
    dioctyl adipate 1308.69
    dimethyl sulfate 819.63
    ethyl butyrate 4302.95
    methyl lactate 475.77
    butyl lactate 1448.81
    diethyl carbonate 2070.66
    propanediol butyl ether 686.72
    triethyl orthoformate 3023.38
    p-tert-butyltoluene 986.52
    methyl 4-tert-butylbenzoate 1429.13
    morpholine 4233.65
    tert-butylamine 1525.9
    n-dodecanol 362.16
    dimethoxymethane 1472.4
    ethylene carbonate 2074.78
    cyrene 809.24
    2-ethoxyethyl acetate 2729.97
    2-ethylhexyl acetate 3273.01
    1,2,4-trichlorobenzene 2347.59
    4-methylpyridine 2863.02
    dibutyl ether 3382.52
    2,6-dimethyl-4-heptanol 1206.78
    DEF 3597.34
    dimethyl isosorbide 1960.02
    tetrachloroethylene 5153.45
    eugenol 913.99
    triacetin 1995.12
    span 80 986.73
    1,4-butanediol 143.58
    1,1-dichloroethane 5198.86
    2-methyl-1-pentanol 974.69
    methyl formate 436.16
    2-methyl-1-butanol 1300.92
    n-decane 431.42
    butyronitrile 2100.88
    3,7-dimethyl-1-octanol 1035.72
    1-chlorooctane 1392.41
    1-chlorotetradecane 414.03
    n-nonane 494.28
    undecane 243.21
    tert-butylcyclohexane 765.47
    cyclooctane 1165.96
    cyclopentanol 2058.35
    tetrahydropyran 7212.25
    tert-amyl methyl ether 2903.62
    2,5,8-trioxanonane 1610.48
    1-hexene 1885.44
    2-isopropoxyethanol 1099.22
    2,2,2-trifluoroethanol 294.63
    methyl butyrate 4321.68

    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