(2,2-Bis(1-methylethoxy)ethyl)benzene

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  • Identifiers

    CAS number
    93805-71-1

    Molecular formula
    C14H22O2

    SMILES
    CC(C)OC(CC1=CC=CC=C1)OC(C)C

  • Odor profile

    Fragrance
    Green 90.99%
    Floral 68.42%
    Herbal 46.46%
    Leafy 45.43%
    Hyacinth 45.02%
    Sweet 42.88%
    Rose 38.57%
    Earthy 36.45%
    Vegetable 35.94%
    Fresh 35.37%

     

    Flavor
    Green 73.85%
    Floral 50.23%
    Fruity 40.62%
    Tropical 39.13%
    Bitter 38.05%
    Earthy 36.39%
    Sweet 29.29%
    Oily 27.81%
    Fresh 27.35%
    Mild 26.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.6 (neutral)

    Molecular weight
    222.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    243°C

    Flash point

    • 94.25 ˚C est.

  • Synonyms

    • 93805-71-1
    • (2,2-Bis(1-methylethoxy)ethyl)benzene
    • [2,2-Bis(1-methylethoxy)ethyl]benzene
    • EINECS 298-554-3
    • DTXSID10239708
    • [2,2-bis-(1-Methylethoxy)ethyl]benzene
    • Benzene, [2,2-bis(1-methylethoxy)ethyl]-
    • NL597BD9WM
    • SCHEMBL10949961
    • DTXCID20162199
    • ITNRYYFLWPMNLN-UHFFFAOYSA-N
    • Phenylacetaldehyde diisopropyl acetal
    • NS00039647
    • 298-554-3

  • Applications

    Chemical name and CAS: (2,2-Bis(1-methylethoxy)ethyl)benzene (CAS 93805-71-1) is typically used as an intermediate and precursor in organic synthesis for functionalized benzene derivatives; it may serve as a solvent or co-solvent in industrial manufacturing; it can act as a processing additive or reactive diluent in coatings, inks, and adhesives formulations; it is sometimes used as a plasticizer-like component in polymer formulations; and it may be a building block for specialty polymers or resins, with use constrained by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 803.34
    methanol 812.73
    isopropanol 656.6
    water 2.95
    ethyl acetate 583.65
    n-propanol 716.81
    acetone 661.17
    n-butanol 709.77
    acetonitrile 454.27
    DMF 626.6
    toluene 554.57
    isobutanol 588.3
    1,4-dioxane 1516.94
    methyl acetate 514.85
    THF 1753.51
    2-butanone 514.33
    n-pentanol 536.3
    sec-butanol 669.41
    n-hexane 813.7
    ethylene glycol 124.92
    NMP 874.49
    cyclohexane 1354.63
    DMSO 650.45
    n-butyl acetate 633.05
    n-octanol 415.99
    chloroform 3536.93
    n-propyl acetate 457.98
    acetic acid 753.32
    dichloromethane 2368.2
    cyclohexanone 1258.32
    propylene glycol 244.02
    isopropyl acetate 398.29
    DMAc 740.68
    2-ethoxyethanol 423.61
    isopentanol 573.42
    n-heptane 529.21
    ethyl formate 373.35
    1,2-dichloroethane 1188.9
    n-hexanol 800.67
    2-methoxyethanol 607.83
    isobutyl acetate 367.22
    tetrachloromethane 610.04
    n-pentyl acetate 443.29
    transcutol 1213.84
    n-heptanol 334.35
    ethylbenzene 357.48
    MIBK 314.8
    2-propoxyethanol 689.86
    tert-butanol 743.62
    MTBE 661.8
    2-butoxyethanol 396.39
    propionic acid 573.81
    o-xylene 358.34
    formic acid 180.74
    diethyl ether 832.75
    m-xylene 327.13
    p-xylene 511.36
    chlorobenzene 707.22
    dimethyl carbonate 215.68
    n-octane 161.39
    formamide 193.91
    cyclopentanone 1020.1
    2-pentanone 486.63
    anisole 421.1
    cyclopentyl methyl ether 958.49
    gamma-butyrolactone 1123.55
    1-methoxy-2-propanol 496.02
    pyridine 949.32
    3-pentanone 490.01
    furfural 767.09
    n-dodecane 99.22
    diethylene glycol 390.07
    diisopropyl ether 318.99
    tert-amyl alcohol 616.68
    acetylacetone 471.15
    n-hexadecane 111.29
    acetophenone 406.96
    methyl propionate 457.71
    isopentyl acetate 513.9
    trichloroethylene 1870.49
    n-nonanol 380.4
    cyclohexanol 1044.81
    benzyl alcohol 353.37
    2-ethylhexanol 512.25
    isooctanol 266.53
    dipropyl ether 789.31
    1,2-dichlorobenzene 622.33
    ethyl lactate 239.53
    propylene carbonate 777.83
    n-methylformamide 292.17
    2-pentanol 535.34
    n-pentane 521.27
    1-propoxy-2-propanol 590.45
    1-methoxy-2-propyl acetate 460.23
    2-(2-methoxypropoxy) propanol 381.33
    mesitylene 233.93
    ε-caprolactone 990.86
    p-cymene 249.17
    epichlorohydrin 1025.23
    1,1,1-trichloroethane 1258.22
    2-aminoethanol 296.33
    morpholine-4-carbaldehyde 766.12
    sulfolane 1130.53
    2,2,4-trimethylpentane 164.81
    2-methyltetrahydrofuran 1248.96
    n-hexyl acetate 647.59
    isooctane 95.5
    2-(2-butoxyethoxy)ethanol 516.86
    sec-butyl acetate 332.34
    tert-butyl acetate 400.73
    decalin 328.5
    glycerin 259.03
    diglyme 842.24
    acrylic acid 433.27
    isopropyl myristate 298.41
    n-butyric acid 831.79
    acetyl acetate 455.86
    di(2-ethylhexyl) phthalate 255.31
    ethyl propionate 389.11
    nitromethane 666.83
    1,2-diethoxyethane 598.94
    benzonitrile 471.36
    trioctyl phosphate 193.28
    1-bromopropane 1018.87
    gamma-valerolactone 1039.18
    n-decanol 279.19
    triethyl phosphate 279.65
    4-methyl-2-pentanol 276.09
    propionitrile 449.27
    vinylene carbonate 677.09
    1,1,2-trichlorotrifluoroethane 832.05
    DMS 445.75
    cumene 253.93
    2-octanol 269.99
    2-hexanone 474.2
    octyl acetate 373.73
    limonene 424.62
    1,2-dimethoxyethane 825.47
    ethyl orthosilicate 285.69
    tributyl phosphate 259.7
    diacetone alcohol 361.15
    N,N-dimethylaniline 342.45
    acrylonitrile 395.61
    aniline 500.12
    1,3-propanediol 414.91
    bromobenzene 835.29
    dibromomethane 1916.25
    1,1,2,2-tetrachloroethane 1939.71
    2-methyl-cyclohexyl acetate 469.42
    tetrabutyl urea 312.29
    diisobutyl methanol 272.33
    2-phenylethanol 390.4
    styrene 426.24
    dioctyl adipate 403.32
    dimethyl sulfate 295.76
    ethyl butyrate 481.07
    methyl lactate 253.21
    butyl lactate 329.79
    diethyl carbonate 364.97
    propanediol butyl ether 392.95
    triethyl orthoformate 400.68
    p-tert-butyltoluene 239.17
    methyl 4-tert-butylbenzoate 379.21
    morpholine 1407.04
    tert-butylamine 642.3
    n-dodecanol 223.37
    dimethoxymethane 489.33
    ethylene carbonate 638.61
    cyrene 357.47
    2-ethoxyethyl acetate 427.08
    2-ethylhexyl acetate 484.7
    1,2,4-trichlorobenzene 706.43
    4-methylpyridine 800.15
    dibutyl ether 669.2
    2,6-dimethyl-4-heptanol 272.33
    DEF 561.72
    dimethyl isosorbide 623.41
    tetrachloroethylene 1305.38
    eugenol 315.58
    triacetin 530.9
    span 80 475.94
    1,4-butanediol 212.34
    1,1-dichloroethane 1215.23
    2-methyl-1-pentanol 450.75
    methyl formate 261.25
    2-methyl-1-butanol 575.36
    n-decane 183.94
    butyronitrile 544.34
    3,7-dimethyl-1-octanol 340.19
    1-chlorooctane 409.92
    1-chlorotetradecane 184.68
    n-nonane 211.51
    undecane 125.34
    tert-butylcyclohexane 257.32
    cyclooctane 378.34
    cyclopentanol 890.98
    tetrahydropyran 1938.62
    tert-amyl methyl ether 518.28
    2,5,8-trioxanonane 610.73
    1-hexene 989.59
    2-isopropoxyethanol 341.17
    2,2,2-trifluoroethanol 285.62
    methyl butyrate 527.13

    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