Undecane, 1,1-dimethoxy-

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  • Identifiers

    CAS number
    52517-67-6

    Molecular formula
    C13H28O2

    SMILES
    CCCCCCCCCCC(OC)OC

  • Odor profile

    Citrus 76.43%
    Green 70.25%
    Fresh 65.74%
    Waxy 65.21%
    Floral 58.05%
    Fruity 57.93%
    Fatty 55.59%
    Orange 48.77%
    Herbal 44.37%
    Aldehydic 43.51%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    216.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point est.
    97.11 ˚C

  • Synonyms

    • Undecanal dimethyl acetal
    • Undecane, 1,1-dimethoxy-
    • 52517-67-6
    • 1,1-Dimethoxyundecane
    • EINECS 257-989-9
    • AI3-36023
    • DTXSID7068762
    • Undecanal-dimethyl acetal
    • Undecanaldimethylacetal
    • 1,1-Dimethoxyundecane #
    • MJW7H86VUS
    • SCHEMBL3505565
    • DTXCID7041205
    • DB-309479
    • NS00032518

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4400.6
    methanol 2957.75
    isopropanol 5621.09
    water 0.08
    ethyl acetate 11476.17
    n-propanol 5173.43
    acetone 8544.43
    n-butanol 5863.88
    acetonitrile 5859.52
    DMF 3768.02
    toluene 3802.0
    isobutanol 4527.46
    1,4-dioxane 10487.78
    methyl acetate 6000.08
    THF 12671.77
    2-butanone 7639.59
    n-pentanol 3957.12
    sec-butanol 5878.99
    n-hexane 4695.94
    ethylene glycol 196.78
    NMP 3783.69
    cyclohexane 10267.66
    DMSO 5319.51
    n-butyl acetate 10333.55
    n-octanol 1960.52
    chloroform 18177.39
    n-propyl acetate 8960.34
    acetic acid 2889.54
    dichloromethane 18018.24
    cyclohexanone 13393.56
    propylene glycol 499.21
    isopropyl acetate 7942.54
    DMAc 3051.76
    2-ethoxyethanol 4080.79
    isopentanol 5873.57
    n-heptane 3492.41
    ethyl formate 4039.24
    1,2-dichloroethane 12379.53
    n-hexanol 4518.82
    2-methoxyethanol 4608.93
    isobutyl acetate 4527.05
    tetrachloromethane 5443.44
    n-pentyl acetate 6072.39
    transcutol 9923.87
    n-heptanol 2099.78
    ethylbenzene 2264.2
    MIBK 4998.31
    2-propoxyethanol 4719.08
    tert-butanol 8515.55
    MTBE 11643.44
    2-butoxyethanol 3125.77
    propionic acid 3023.17
    o-xylene 2238.48
    formic acid 302.92
    diethyl ether 14918.43
    m-xylene 2306.16
    p-xylene 3043.34
    chlorobenzene 4669.14
    dimethyl carbonate 949.71
    n-octane 985.16
    formamide 600.52
    cyclopentanone 9001.99
    2-pentanone 8722.5
    anisole 3149.0
    cyclopentyl methyl ether 9948.07
    gamma-butyrolactone 7381.83
    1-methoxy-2-propanol 4192.06
    pyridine 7934.77
    3-pentanone 5903.1
    furfural 4720.62
    n-dodecane 358.94
    diethylene glycol 1429.92
    diisopropyl ether 4836.56
    tert-amyl alcohol 7218.36
    acetylacetone 5687.2
    n-hexadecane 443.91
    acetophenone 2629.79
    methyl propionate 4952.8
    isopentyl acetate 8252.96
    trichloroethylene 16294.06
    n-nonanol 1747.45
    cyclohexanol 8387.19
    benzyl alcohol 1986.43
    2-ethylhexanol 4238.59
    isooctanol 2088.34
    dipropyl ether 9937.46
    1,2-dichlorobenzene 4168.13
    ethyl lactate 1593.5
    propylene carbonate 4529.32
    n-methylformamide 1904.56
    2-pentanol 5687.59
    n-pentane 3587.09
    1-propoxy-2-propanol 5553.52
    1-methoxy-2-propyl acetate 4903.7
    2-(2-methoxypropoxy) propanol 1565.44
    mesitylene 1748.73
    ε-caprolactone 10384.3
    p-cymene 1795.95
    epichlorohydrin 9796.32
    1,1,1-trichloroethane 14758.04
    2-aminoethanol 773.54
    morpholine-4-carbaldehyde 4664.06
    sulfolane 6744.46
    2,2,4-trimethylpentane 1135.01
    2-methyltetrahydrofuran 14258.74
    n-hexyl acetate 5608.41
    isooctane 909.63
    2-(2-butoxyethoxy)ethanol 2572.38
    sec-butyl acetate 6264.85
    tert-butyl acetate 7846.22
    decalin 1901.67
    glycerin 514.75
    diglyme 6679.87
    acrylic acid 1606.8
    isopropyl myristate 1722.41
    n-butyric acid 7505.62
    acetyl acetate 4750.96
    di(2-ethylhexyl) phthalate 901.14
    ethyl propionate 6897.9
    nitromethane 5450.64
    1,2-diethoxyethane 9148.87
    benzonitrile 3676.28
    trioctyl phosphate 843.14
    1-bromopropane 12159.61
    gamma-valerolactone 9401.46
    n-decanol 1091.06
    triethyl phosphate 2006.87
    4-methyl-2-pentanol 2874.14
    propionitrile 6063.9
    vinylene carbonate 3441.73
    1,1,2-trichlorotrifluoroethane 5171.53
    DMS 2164.23
    cumene 1459.82
    2-octanol 1911.79
    2-hexanone 6776.57
    octyl acetate 1837.59
    limonene 3705.56
    1,2-dimethoxyethane 9925.8
    ethyl orthosilicate 2409.37
    tributyl phosphate 1224.02
    diacetone alcohol 4421.4
    N,N-dimethylaniline 1861.31
    acrylonitrile 4510.55
    aniline 3463.73
    1,3-propanediol 1805.84
    bromobenzene 5753.65
    dibromomethane 14391.08
    1,1,2,2-tetrachloroethane 15070.18
    2-methyl-cyclohexyl acetate 3557.53
    tetrabutyl urea 1498.56
    diisobutyl methanol 2646.79
    2-phenylethanol 2021.56
    styrene 2894.05
    dioctyl adipate 2021.68
    dimethyl sulfate 1312.66
    ethyl butyrate 8002.95
    methyl lactate 1088.42
    butyl lactate 2561.7
    diethyl carbonate 3873.66
    propanediol butyl ether 1689.61
    triethyl orthoformate 5092.28
    p-tert-butyltoluene 1716.77
    methyl 4-tert-butylbenzoate 1966.75
    morpholine 13122.42
    tert-butylamine 7267.93
    n-dodecanol 806.6
    dimethoxymethane 3858.01
    ethylene carbonate 4115.55
    cyrene 1223.5
    2-ethoxyethyl acetate 4720.52
    2-ethylhexyl acetate 6683.97
    1,2,4-trichlorobenzene 4089.75
    4-methylpyridine 7428.42
    dibutyl ether 7442.22
    2,6-dimethyl-4-heptanol 2646.79
    DEF 7700.79
    dimethyl isosorbide 2941.48
    tetrachloroethylene 10530.1
    eugenol 1468.9
    triacetin 2903.24
    span 80 1890.49
    1,4-butanediol 740.74
    1,1-dichloroethane 13766.09
    2-methyl-1-pentanol 3622.54
    methyl formate 1373.14
    2-methyl-1-butanol 5138.33
    n-decane 889.4
    butyronitrile 8355.21
    3,7-dimethyl-1-octanol 2347.26
    1-chlorooctane 2717.49
    1-chlorotetradecane 766.58
    n-nonane 1044.05
    undecane 517.75
    tert-butylcyclohexane 1576.4
    cyclooctane 2410.9
    cyclopentanol 6043.51
    tetrahydropyran 20131.2
    tert-amyl methyl ether 7595.31
    2,5,8-trioxanonane 2798.49
    1-hexene 8280.28
    2-isopropoxyethanol 3521.19
    2,2,2-trifluoroethanol 802.87
    methyl butyrate 9311.31

    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