Undecane, 1,1-diethoxy-2-methyl-

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  • Identifiers

    CAS number
    67785-65-3

    Molecular formula
    C16H34O2

    SMILES
    CCCCCCCCCC(C)C(OCC)OCC

  • Odor profile

    Citrus 62.24%
    Fruity 60.46%
    Green 60.34%
    Waxy 51.28%
    Fresh 50.83%
    Floral 46.68%
    Fatty 46.2%
    Oily 45.35%
    Woody 45.02%
    Herbal 35.86%

    Scent© AI

  • Properties

    XLogP3-AA
    6.3

    Molecular weight
    258.44 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    278°C

    Flash point est.
    113.46 ˚C

  • Synonyms

    • 1,1-Diethoxy-2-methylundecane
    • Undecane, 1,1-diethoxy-2-methyl-
    • 67785-65-3
    • DTXSID10886877
    • CNWQANBQCPRGEE-UHFFFAOYSA-N
    • DTXCID801026194

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12653.84
    methanol 6980.55
    isopropanol 15731.22
    water 0.31
    ethyl acetate 29764.91
    n-propanol 15251.42
    acetone 26756.05
    n-butanol 16660.94
    acetonitrile 15346.64
    DMF 12112.57
    toluene 11843.48
    isobutanol 15286.62
    1,4-dioxane 24596.97
    methyl acetate 16043.68
    THF 29071.83
    2-butanone 23193.27
    n-pentanol 11776.53
    sec-butanol 17869.73
    n-hexane 16241.21
    ethylene glycol 425.91
    NMP 11932.48
    cyclohexane 32601.83
    DMSO 12798.44
    n-butyl acetate 32961.7
    n-octanol 8573.89
    chloroform 43871.32
    n-propyl acetate 25249.92
    acetic acid 7526.73
    dichloromethane 43948.55
    cyclohexanone 41078.76
    propylene glycol 1102.9
    isopropyl acetate 23707.94
    DMAc 10355.11
    2-ethoxyethanol 8974.99
    isopentanol 17739.23
    n-heptane 13170.39
    ethyl formate 11969.36
    1,2-dichloroethane 30711.91
    n-hexanol 13740.59
    2-methoxyethanol 10682.43
    isobutyl acetate 14507.46
    tetrachloromethane 13216.53
    n-pentyl acetate 22498.44
    transcutol 22240.05
    n-heptanol 7617.29
    ethylbenzene 7660.97
    MIBK 15408.71
    2-propoxyethanol 11421.88
    tert-butanol 20845.97
    MTBE 34895.88
    2-butoxyethanol 8910.47
    propionic acid 7937.28
    o-xylene 7415.79
    formic acid 686.4
    diethyl ether 39369.42
    m-xylene 7170.05
    p-xylene 10670.33
    chlorobenzene 13753.98
    dimethyl carbonate 3202.62
    n-octane 4337.96
    formamide 1385.0
    cyclopentanone 25050.35
    2-pentanone 26031.17
    anisole 8858.95
    cyclopentyl methyl ether 26675.36
    gamma-butyrolactone 19701.27
    1-methoxy-2-propanol 9865.56
    pyridine 21432.39
    3-pentanone 17954.7
    furfural 10956.2
    n-dodecane 1662.47
    diethylene glycol 3070.63
    diisopropyl ether 15233.03
    tert-amyl alcohol 20686.76
    acetylacetone 17373.31
    n-hexadecane 2026.78
    acetophenone 8307.15
    methyl propionate 13541.07
    isopentyl acetate 25504.25
    trichloroethylene 38274.86
    n-nonanol 7184.21
    cyclohexanol 23762.57
    benzyl alcohol 5415.42
    2-ethylhexanol 13232.6
    isooctanol 7505.01
    dipropyl ether 28728.41
    1,2-dichlorobenzene 11903.59
    ethyl lactate 4230.86
    propylene carbonate 12924.19
    n-methylformamide 5541.38
    2-pentanol 16749.03
    n-pentane 11812.6
    1-propoxy-2-propanol 13327.19
    1-methoxy-2-propyl acetate 12760.04
    2-(2-methoxypropoxy) propanol 4224.94
    mesitylene 5311.0
    ε-caprolactone 30116.77
    p-cymene 6204.05
    epichlorohydrin 23703.97
    1,1,1-trichloroethane 36810.1
    2-aminoethanol 1797.31
    morpholine-4-carbaldehyde 11629.07
    sulfolane 17127.69
    2,2,4-trimethylpentane 4381.73
    2-methyltetrahydrofuran 36457.96
    n-hexyl acetate 21149.87
    isooctane 3189.24
    2-(2-butoxyethoxy)ethanol 6837.5
    sec-butyl acetate 17901.83
    tert-butyl acetate 21451.59
    decalin 6683.88
    glycerin 1043.78
    diglyme 17085.67
    acrylic acid 3993.57
    isopropyl myristate 6563.77
    n-butyric acid 20984.64
    acetyl acetate 13097.38
    di(2-ethylhexyl) phthalate 2907.74
    ethyl propionate 18962.12
    nitromethane 13531.55
    1,2-diethoxyethane 24264.52
    benzonitrile 10643.05
    trioctyl phosphate 3046.87
    1-bromopropane 32977.38
    gamma-valerolactone 24259.3
    n-decanol 4527.66
    triethyl phosphate 5127.67
    4-methyl-2-pentanol 8799.23
    propionitrile 15666.8
    vinylene carbonate 9842.72
    1,1,2-trichlorotrifluoroethane 11115.67
    DMS 6782.77
    cumene 5222.29
    2-octanol 7823.8
    2-hexanone 20637.22
    octyl acetate 7350.76
    limonene 12108.77
    1,2-dimethoxyethane 24721.96
    ethyl orthosilicate 6055.87
    tributyl phosphate 4122.69
    diacetone alcohol 11108.32
    N,N-dimethylaniline 5986.92
    acrylonitrile 11159.39
    aniline 8584.38
    1,3-propanediol 4535.21
    bromobenzene 17415.54
    dibromomethane 37333.66
    1,1,2,2-tetrachloroethane 34687.96
    2-methyl-cyclohexyl acetate 9902.18
    tetrabutyl urea 5192.06
    diisobutyl methanol 8031.73
    2-phenylethanol 5293.97
    styrene 9257.42
    dioctyl adipate 6793.76
    dimethyl sulfate 3640.16
    ethyl butyrate 24145.38
    methyl lactate 3029.05
    butyl lactate 8483.15
    diethyl carbonate 10272.18
    propanediol butyl ether 5461.26
    triethyl orthoformate 13230.83
    p-tert-butyltoluene 5430.72
    methyl 4-tert-butylbenzoate 5835.08
    morpholine 29643.91
    tert-butylamine 17632.72
    n-dodecanol 3274.59
    dimethoxymethane 10712.24
    ethylene carbonate 12173.07
    cyrene 3039.62
    2-ethoxyethyl acetate 15022.4
    2-ethylhexyl acetate 20710.14
    1,2,4-trichlorobenzene 11302.31
    4-methylpyridine 23376.17
    dibutyl ether 26122.79
    2,6-dimethyl-4-heptanol 8031.73
    DEF 22403.52
    dimethyl isosorbide 6936.87
    tetrachloroethylene 24293.14
    eugenol 4213.82
    triacetin 9050.04
    span 80 5141.13
    1,4-butanediol 2069.98
    1,1-dichloroethane 36542.0
    2-methyl-1-pentanol 11772.7
    methyl formate 3999.55
    2-methyl-1-butanol 16760.57
    n-decane 4140.34
    butyronitrile 23994.34
    3,7-dimethyl-1-octanol 8934.5
    1-chlorooctane 11162.13
    1-chlorotetradecane 3156.3
    n-nonane 5003.51
    undecane 2410.51
    tert-butylcyclohexane 5738.68
    cyclooctane 8458.3
    cyclopentanol 16970.91
    tetrahydropyran 52199.24
    tert-amyl methyl ether 21545.58
    2,5,8-trioxanonane 6865.52
    1-hexene 25996.84
    2-isopropoxyethanol 8369.35
    2,2,2-trifluoroethanol 1921.87
    methyl butyrate 26305.73

    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