Undecane, 1,1-diethoxy-

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  • Identifiers

    CAS number
    53405-97-3

    Molecular formula
    C15H32O2

    SMILES
    CCCCCCCCCCC(OCC)OCC

  • Odor profile

    Citrus 76.28%
    Fruity 75.61%
    Fresh 62.23%
    Green 59.23%
    Floral 58.44%
    Waxy 58.08%
    Fatty 57.3%
    Oily 50.63%
    Orange 49.75%
    Herbal 43.88%

    Scent© AI

  • Properties

    XLogP3-AA
    5.9

    Molecular weight
    244.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    273°C

    Flash point est.
    108.77 ˚C

  • Synonyms

    • 1,1-Diethoxyundecane
    • 53405-97-3
    • Undecane, 1,1-diethoxy-
    • Undecanal, diethyl acetal
    • undecanal diethyl acetal
    • EINECS 258-539-4
    • DTXSID6068850
    • Undecane, 1,1-diethoxy
    • T7TFX52AM8
    • SCHEMBL3506724
    • DTXCID1041429
    • MFCD11554277
    • DB-311328
    • NS00022316
    • 258-539-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6045.04
    methanol 3512.95
    isopropanol 7799.41
    water 0.13
    ethyl acetate 15018.22
    n-propanol 7610.01
    acetone 13900.86
    n-butanol 8463.6
    acetonitrile 7597.71
    DMF 6345.3
    toluene 6705.45
    isobutanol 7412.19
    1,4-dioxane 14222.45
    methyl acetate 8653.83
    THF 18850.42
    2-butanone 11782.47
    n-pentanol 5928.23
    sec-butanol 9188.34
    n-hexane 11499.63
    ethylene glycol 260.0
    NMP 7702.57
    cyclohexane 22709.97
    DMSO 8549.02
    n-butyl acetate 16224.48
    n-octanol 4191.0
    chloroform 26439.92
    n-propyl acetate 13152.68
    acetic acid 3980.07
    dichloromethane 26000.9
    cyclohexanone 23378.37
    propylene glycol 680.11
    isopropyl acetate 11148.3
    DMAc 5880.58
    2-ethoxyethanol 4601.55
    isopentanol 8662.38
    n-heptane 8705.83
    ethyl formate 5832.73
    1,2-dichloroethane 17911.15
    n-hexanol 7148.69
    2-methoxyethanol 5495.01
    isobutyl acetate 7397.81
    tetrachloromethane 7947.65
    n-pentyl acetate 10974.09
    transcutol 12103.32
    n-heptanol 3557.19
    ethylbenzene 4116.24
    MIBK 7964.17
    2-propoxyethanol 6037.15
    tert-butanol 10759.08
    MTBE 17005.93
    2-butoxyethanol 4272.14
    propionic acid 4509.27
    o-xylene 4088.21
    formic acid 371.49
    diethyl ether 20402.63
    m-xylene 3927.79
    p-xylene 5822.34
    chlorobenzene 8356.1
    dimethyl carbonate 1652.99
    n-octane 2456.12
    formamide 757.56
    cyclopentanone 15292.81
    2-pentanone 13094.67
    anisole 4795.48
    cyclopentyl methyl ether 16443.03
    gamma-butyrolactone 12142.14
    1-methoxy-2-propanol 5418.88
    pyridine 12637.9
    3-pentanone 9754.43
    furfural 7000.25
    n-dodecane 989.85
    diethylene glycol 1749.43
    diisopropyl ether 7838.38
    tert-amyl alcohol 10656.35
    acetylacetone 9157.51
    n-hexadecane 1205.98
    acetophenone 4726.83
    methyl propionate 7371.9
    isopentyl acetate 12468.2
    trichloroethylene 22722.01
    n-nonanol 3600.45
    cyclohexanol 14011.85
    benzyl alcohol 2960.78
    2-ethylhexanol 7021.12
    isooctanol 3497.48
    dipropyl ether 16372.18
    1,2-dichlorobenzene 7200.82
    ethyl lactate 2338.66
    propylene carbonate 7403.58
    n-methylformamide 2942.44
    2-pentanol 8288.25
    n-pentane 7705.13
    1-propoxy-2-propanol 7199.54
    1-methoxy-2-propyl acetate 6884.3
    2-(2-methoxypropoxy) propanol 2544.33
    mesitylene 3053.51
    ε-caprolactone 16799.77
    p-cymene 3348.3
    epichlorohydrin 13923.1
    1,1,1-trichloroethane 20767.71
    2-aminoethanol 1057.45
    morpholine-4-carbaldehyde 6857.76
    sulfolane 12026.08
    2,2,4-trimethylpentane 2488.85
    2-methyltetrahydrofuran 22296.89
    n-hexyl acetate 10706.81
    isooctane 1780.56
    2-(2-butoxyethoxy)ethanol 3800.79
    sec-butyl acetate 9253.66
    tert-butyl acetate 10888.82
    decalin 4470.24
    glycerin 654.84
    diglyme 8962.1
    acrylic acid 2344.46
    isopropyl myristate 3669.19
    n-butyric acid 10748.11
    acetyl acetate 6739.47
    di(2-ethylhexyl) phthalate 1739.94
    ethyl propionate 9968.51
    nitromethane 7274.94
    1,2-diethoxyethane 12811.78
    benzonitrile 5961.4
    trioctyl phosphate 1748.81
    1-bromopropane 19671.39
    gamma-valerolactone 13958.55
    n-decanol 2311.09
    triethyl phosphate 3306.99
    4-methyl-2-pentanol 4457.35
    propionitrile 8339.91
    vinylene carbonate 5617.69
    1,1,2-trichlorotrifluoroethane 6965.81
    DMS 4014.02
    cumene 2838.79
    2-octanol 3667.05
    2-hexanone 11108.27
    octyl acetate 3945.19
    limonene 7139.34
    1,2-dimethoxyethane 13422.18
    ethyl orthosilicate 3718.61
    tributyl phosphate 2467.59
    diacetone alcohol 5996.01
    N,N-dimethylaniline 3422.75
    acrylonitrile 6084.92
    aniline 5216.7
    1,3-propanediol 2375.85
    bromobenzene 10709.87
    dibromomethane 22365.97
    1,1,2,2-tetrachloroethane 21668.94
    2-methyl-cyclohexyl acetate 6027.2
    tetrabutyl urea 3116.11
    diisobutyl methanol 4470.26
    2-phenylethanol 2983.76
    styrene 5167.82
    dioctyl adipate 4085.28
    dimethyl sulfate 2315.92
    ethyl butyrate 12221.17
    methyl lactate 1776.52
    butyl lactate 4470.16
    diethyl carbonate 5914.36
    propanediol butyl ether 2805.26
    triethyl orthoformate 7625.67
    p-tert-butyltoluene 3062.26
    methyl 4-tert-butylbenzoate 3363.05
    morpholine 17386.08
    tert-butylamine 9877.91
    n-dodecanol 1753.02
    dimethoxymethane 5605.8
    ethylene carbonate 6709.22
    cyrene 1954.01
    2-ethoxyethyl acetate 7465.83
    2-ethylhexyl acetate 10619.2
    1,2,4-trichlorobenzene 7082.03
    4-methylpyridine 13066.22
    dibutyl ether 14310.11
    2,6-dimethyl-4-heptanol 4470.26
    DEF 11990.43
    dimethyl isosorbide 4434.23
    tetrachloroethylene 14797.19
    eugenol 2367.52
    triacetin 5373.35
    span 80 3238.27
    1,4-butanediol 1058.01
    1,1-dichloroethane 20323.2
    2-methyl-1-pentanol 5758.0
    methyl formate 2015.09
    2-methyl-1-butanol 8250.72
    n-decane 2324.89
    butyronitrile 11062.91
    3,7-dimethyl-1-octanol 4503.62
    1-chlorooctane 6023.84
    1-chlorotetradecane 1878.83
    n-nonane 2806.56
    undecane 1385.29
    tert-butylcyclohexane 3538.18
    cyclooctane 5530.66
    cyclopentanol 10345.97
    tetrahydropyran 30951.02
    tert-amyl methyl ether 11336.67
    2,5,8-trioxanonane 4226.76
    1-hexene 16202.31
    2-isopropoxyethanol 4183.39
    2,2,2-trifluoroethanol 1102.36
    methyl butyrate 13567.42

    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