1-(1-Ethoxyethoxy)-3-methylbutane

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  • Identifiers

    Molecular formula
    C9H20O2

    SMILES
    CCOCCOCCC(C)C

  • Odor profile

    Green 82.52%
    Ethereal 80.05%
    Alcoholic 72.42%
    Fermented 64.1%
    Fruity 60.26%
    Cognac 58.45%
    Malty 39.18%
    Cocoa 39.11%
    Nutty 37.73%
    Pungent 35.85%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.03 (neutral)

    Molecular weight
    160.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    176°C

    Flash point est.
    54.66 ˚C

  • Synonyms

    • Acetaldehyde ethyl 3-methylbutyl acetal
    • EINECS 236-581-4
    • Butane, 1-(1-ethoxyethoxy)-3-methyl-
    • SCHEMBL3505516
    • 1-Ethoxy-2-(3-methylbutyoxy)ethane
    • 236-581-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1551.35
    methanol 1408.19
    isopropanol 1312.68
    water 1.11
    ethyl acetate 792.32
    n-propanol 1366.23
    acetone 984.01
    n-butanol 1401.25
    acetonitrile 677.14
    DMF 670.97
    toluene 413.7
    isobutanol 1013.33
    1,4-dioxane 1684.99
    methyl acetate 690.11
    THF 1960.86
    2-butanone 803.68
    n-pentanol 837.55
    sec-butanol 1246.31
    n-hexane 554.12
    ethylene glycol 308.56
    NMP 687.64
    cyclohexane 1198.63
    DMSO 1239.05
    n-butyl acetate 1004.83
    n-octanol 434.32
    chloroform 3946.34
    n-propyl acetate 593.97
    acetic acid 1366.75
    dichloromethane 2639.66
    cyclohexanone 1603.75
    propylene glycol 594.6
    isopropyl acetate 457.08
    DMAc 514.73
    2-ethoxyethanol 881.75
    isopentanol 1027.48
    n-heptane 534.49
    ethyl formate 543.73
    1,2-dichloroethane 1493.9
    n-hexanol 1276.97
    2-methoxyethanol 1305.73
    isobutyl acetate 369.92
    tetrachloromethane 886.67
    n-pentyl acetate 472.91
    transcutol 2323.81
    n-heptanol 419.89
    ethylbenzene 265.34
    MIBK 345.13
    2-propoxyethanol 1212.75
    tert-butanol 1636.38
    MTBE 949.19
    2-butoxyethanol 579.17
    propionic acid 1024.67
    o-xylene 301.48
    formic acid 321.0
    diethyl ether 999.26
    m-xylene 287.55
    p-xylene 357.0
    chlorobenzene 707.91
    dimethyl carbonate 133.5
    n-octane 127.24
    formamide 306.64
    cyclopentanone 1186.49
    2-pentanone 618.9
    anisole 386.88
    cyclopentyl methyl ether 1040.8
    gamma-butyrolactone 1188.75
    1-methoxy-2-propanol 1002.73
    pyridine 1214.08
    3-pentanone 496.98
    furfural 1116.15
    n-dodecane 69.02
    diethylene glycol 788.9
    diisopropyl ether 288.32
    tert-amyl alcohol 1250.09
    acetylacetone 528.76
    n-hexadecane 78.7
    acetophenone 362.54
    methyl propionate 494.07
    isopentyl acetate 791.06
    trichloroethylene 2547.81
    n-nonanol 365.29
    cyclohexanol 1665.24
    benzyl alcohol 427.47
    2-ethylhexanol 856.49
    isooctanol 346.81
    dipropyl ether 933.5
    1,2-dichlorobenzene 668.67
    ethyl lactate 293.32
    propylene carbonate 769.33
    n-methylformamide 440.68
    2-pentanol 916.06
    n-pentane 444.31
    1-propoxy-2-propanol 1082.0
    1-methoxy-2-propyl acetate 596.75
    2-(2-methoxypropoxy) propanol 485.73
    mesitylene 207.53
    ε-caprolactone 1273.68
    p-cymene 306.66
    epichlorohydrin 1367.64
    1,1,1-trichloroethane 1766.64
    2-aminoethanol 666.11
    morpholine-4-carbaldehyde 828.13
    sulfolane 1285.95
    2,2,4-trimethylpentane 167.62
    2-methyltetrahydrofuran 1651.87
    n-hexyl acetate 620.3
    isooctane 102.95
    2-(2-butoxyethoxy)ethanol 720.75
    sec-butyl acetate 392.42
    tert-butyl acetate 491.6
    decalin 268.7
    glycerin 580.15
    diglyme 1213.2
    acrylic acid 746.99
    isopropyl myristate 253.59
    n-butyric acid 1542.29
    acetyl acetate 510.88
    di(2-ethylhexyl) phthalate 232.54
    ethyl propionate 443.47
    nitromethane 1071.48
    1,2-diethoxyethane 859.78
    benzonitrile 624.62
    trioctyl phosphate 186.9
    1-bromopropane 1175.28
    gamma-valerolactone 1375.76
    n-decanol 253.18
    triethyl phosphate 301.87
    4-methyl-2-pentanol 410.51
    propionitrile 791.91
    vinylene carbonate 673.12
    1,1,2-trichlorotrifluoroethane 1400.04
    DMS 355.9
    cumene 200.0
    2-octanol 291.62
    2-hexanone 582.38
    octyl acetate 300.13
    limonene 580.04
    1,2-dimethoxyethane 1199.77
    ethyl orthosilicate 321.88
    tributyl phosphate 255.46
    diacetone alcohol 533.36
    N,N-dimethylaniline 266.12
    acrylonitrile 736.17
    aniline 655.89
    1,3-propanediol 940.34
    bromobenzene 749.66
    dibromomethane 2133.46
    1,1,2,2-tetrachloroethane 2477.76
    2-methyl-cyclohexyl acetate 517.89
    tetrabutyl urea 286.93
    diisobutyl methanol 429.6
    2-phenylethanol 486.44
    styrene 335.25
    dioctyl adipate 381.72
    dimethyl sulfate 229.75
    ethyl butyrate 673.11
    methyl lactate 305.94
    butyl lactate 427.19
    diethyl carbonate 409.43
    propanediol butyl ether 566.44
    triethyl orthoformate 534.72
    p-tert-butyltoluene 282.84
    methyl 4-tert-butylbenzoate 368.0
    morpholine 2045.97
    tert-butylamine 1229.79
    n-dodecanol 198.12
    dimethoxymethane 424.4
    ethylene carbonate 636.04
    cyrene 370.99
    2-ethoxyethyl acetate 473.17
    2-ethylhexyl acetate 673.51
    1,2,4-trichlorobenzene 777.14
    4-methylpyridine 948.74
    dibutyl ether 736.94
    2,6-dimethyl-4-heptanol 429.6
    DEF 621.48
    dimethyl isosorbide 696.07
    tetrachloroethylene 1828.44
    eugenol 359.12
    triacetin 547.66
    span 80 599.63
    1,4-butanediol 379.44
    1,1-dichloroethane 1627.31
    2-methyl-1-pentanol 640.61
    methyl formate 315.5
    2-methyl-1-butanol 968.52
    n-decane 134.84
    butyronitrile 940.36
    3,7-dimethyl-1-octanol 472.27
    1-chlorooctane 369.09
    1-chlorotetradecane 136.62
    n-nonane 154.18
    undecane 90.73
    tert-butylcyclohexane 210.45
    cyclooctane 285.67
    cyclopentanol 1370.9
    tetrahydropyran 2413.11
    tert-amyl methyl ether 653.27
    2,5,8-trioxanonane 776.95
    1-hexene 905.56
    2-isopropoxyethanol 575.99
    2,2,2-trifluoroethanol 380.95
    methyl butyrate 635.77

    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