1-(2,2-Diethoxyethoxy)-4-(1,1-dimethylpropyl)benzene

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  • Identifiers

    CAS number
    94159-33-8

    Molecular formula
    C17H28O3

    SMILES
    CCC(C)(C)C1=CC=C(C=C1)OCC(OCC)OCC

  • Odor profile

    Floral 64.45%
    Green 49.96%
    Woody 37.95%
    Fresh 36.78%
    Sweet 31.4%
    Spicy 31.11%
    Fruity 30.55%
    Lily 29.26%
    Rose 29.0%
    Powdery 28.64%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.33 (neutral)

    Molecular weight
    280.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point est.
    136.24 ˚C

  • Synonyms

    • 1-(2,2-Diethoxyethoxy)-4-(1,1-dimethylpropyl)benzene
    • 94159-33-8
    • EINECS 303-211-9
    • XQ2F2Q9RWS
    • UNII-XQ2F2Q9RWS
    • 1-(2,2-diethoxyethoxy)-4-(2-methylbutan-2-yl)benzene
    • DTXSID60240864
    • BENZENE, 1-(2,2-DIETHOXYETHOXY)-4-(1,1-DIMETHYLPROPYL)-
    • SCHEMBL5327538
    • DTXCID90163355
    • CFAFOHRNOPBXBY-UHFFFAOYSA-N
    • AKOS012940301
    • NS00040183
    • 303-211-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1034.48
    methanol 911.25
    isopropanol 613.75
    water 0.86
    ethyl acetate 3031.73
    n-propanol 923.04
    acetone 1508.54
    n-butanol 881.42
    acetonitrile 1073.66
    DMF 975.59
    toluene 939.52
    isobutanol 651.73
    1,4-dioxane 2706.06
    methyl acetate 1625.26
    THF 2067.66
    2-butanone 1263.46
    n-pentanol 560.5
    sec-butanol 646.51
    n-hexane 208.07
    ethylene glycol 99.55
    NMP 847.4
    cyclohexane 821.59
    DMSO 1274.2
    n-butyl acetate 1421.91
    n-octanol 217.16
    chloroform 5522.54
    n-propyl acetate 1233.04
    acetic acid 1129.19
    dichloromethane 5654.89
    cyclohexanone 2192.85
    propylene glycol 134.58
    isopropyl acetate 1658.16
    DMAc 1185.22
    2-ethoxyethanol 1056.58
    isopentanol 757.26
    n-heptane 137.31
    ethyl formate 972.89
    1,2-dichloroethane 3903.93
    n-hexanol 621.94
    2-methoxyethanol 1246.69
    isobutyl acetate 781.91
    tetrachloromethane 996.47
    n-pentyl acetate 713.86
    transcutol 2742.66
    n-heptanol 250.4
    ethylbenzene 449.87
    MIBK 758.66
    2-propoxyethanol 1063.89
    tert-butanol 1048.68
    MTBE 1737.38
    2-butoxyethanol 502.63
    propionic acid 736.76
    o-xylene 574.96
    formic acid 262.64
    diethyl ether 2540.82
    m-xylene 577.99
    p-xylene 621.34
    chlorobenzene 1374.86
    dimethyl carbonate 535.5
    n-octane 53.34
    formamide 471.77
    cyclopentanone 1564.65
    2-pentanone 1234.24
    anisole 803.78
    cyclopentyl methyl ether 1488.96
    gamma-butyrolactone 1759.76
    1-methoxy-2-propanol 812.6
    pyridine 1551.04
    3-pentanone 1275.32
    furfural 1307.76
    n-dodecane 36.32
    diethylene glycol 575.33
    diisopropyl ether 665.2
    tert-amyl alcohol 914.82
    acetylacetone 1543.19
    n-hexadecane 43.47
    acetophenone 714.25
    methyl propionate 1512.2
    isopentyl acetate 1171.32
    trichloroethylene 5051.43
    n-nonanol 217.72
    cyclohexanol 1097.24
    benzyl alcohol 517.31
    2-ethylhexanol 446.26
    isooctanol 225.61
    dipropyl ether 835.8
    1,2-dichlorobenzene 1231.37
    ethyl lactate 335.14
    propylene carbonate 1096.93
    n-methylformamide 510.67
    2-pentanol 644.09
    n-pentane 209.62
    1-propoxy-2-propanol 694.75
    1-methoxy-2-propyl acetate 1138.51
    2-(2-methoxypropoxy) propanol 489.82
    mesitylene 395.47
    ε-caprolactone 1988.4
    p-cymene 286.49
    epichlorohydrin 2688.95
    1,1,1-trichloroethane 3267.0
    2-aminoethanol 271.62
    morpholine-4-carbaldehyde 1281.6
    sulfolane 1586.72
    2,2,4-trimethylpentane 133.92
    2-methyltetrahydrofuran 1929.09
    n-hexyl acetate 778.29
    isooctane 79.62
    2-(2-butoxyethoxy)ethanol 684.55
    sec-butyl acetate 960.7
    tert-butyl acetate 1454.72
    decalin 229.03
    glycerin 201.04
    diglyme 1533.81
    acrylic acid 506.3
    isopropyl myristate 315.97
    n-butyric acid 1387.79
    acetyl acetate 1937.14
    di(2-ethylhexyl) phthalate 242.02
    ethyl propionate 1171.41
    nitromethane 1864.88
    1,2-diethoxyethane 1532.75
    benzonitrile 694.44
    trioctyl phosphate 178.43
    1-bromopropane 2132.61
    gamma-valerolactone 2002.38
    n-decanol 157.56
    triethyl phosphate 432.5
    4-methyl-2-pentanol 349.74
    propionitrile 913.79
    vinylene carbonate 1052.33
    1,1,2-trichlorotrifluoroethane 1327.78
    DMS 830.91
    cumene 297.59
    2-octanol 171.07
    2-hexanone 821.36
    octyl acetate 357.04
    limonene 467.97
    1,2-dimethoxyethane 1790.33
    ethyl orthosilicate 455.88
    tributyl phosphate 280.76
    diacetone alcohol 832.03
    N,N-dimethylaniline 456.88
    acrylonitrile 822.76
    aniline 809.7
    1,3-propanediol 560.28
    bromobenzene 1664.46
    dibromomethane 3774.21
    1,1,2,2-tetrachloroethane 4401.94
    2-methyl-cyclohexyl acetate 673.89
    tetrabutyl urea 294.15
    diisobutyl methanol 261.62
    2-phenylethanol 526.47
    styrene 596.2
    dioctyl adipate 464.54
    dimethyl sulfate 668.89
    ethyl butyrate 997.04
    methyl lactate 340.15
    butyl lactate 392.28
    diethyl carbonate 706.01
    propanediol butyl ether 305.44
    triethyl orthoformate 680.74
    p-tert-butyltoluene 269.02
    methyl 4-tert-butylbenzoate 545.13
    morpholine 2596.36
    tert-butylamine 716.33
    n-dodecanol 125.09
    dimethoxymethane 1254.74
    ethylene carbonate 1109.46
    cyrene 418.49
    2-ethoxyethyl acetate 987.49
    2-ethylhexyl acetate 1007.28
    1,2,4-trichlorobenzene 1290.4
    4-methylpyridine 1337.52
    dibutyl ether 583.8
    2,6-dimethyl-4-heptanol 261.62
    DEF 1363.96
    dimethyl isosorbide 903.55
    tetrachloroethylene 2870.55
    eugenol 421.95
    triacetin 758.56
    span 80 392.68
    1,4-butanediol 213.1
    1,1-dichloroethane 3093.39
    2-methyl-1-pentanol 560.75
    methyl formate 493.35
    2-methyl-1-butanol 744.58
    n-decane 67.4
    butyronitrile 966.02
    3,7-dimethyl-1-octanol 274.62
    1-chlorooctane 300.36
    1-chlorotetradecane 116.82
    n-nonane 67.72
    undecane 46.1
    tert-butylcyclohexane 168.51
    cyclooctane 203.99
    cyclopentanol 692.05
    tetrahydropyran 2939.5
    tert-amyl methyl ether 1136.46
    2,5,8-trioxanonane 955.82
    1-hexene 523.52
    2-isopropoxyethanol 736.01
    2,2,2-trifluoroethanol 424.67
    methyl butyrate 1336.48

    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