1-Ethoxy-3-methyl-2-butene

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  • Identifiers

    CAS number
    22094-00-4

    Molecular formula
    C7H14O

    SMILES
    CCOCC=C(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 89.2%
    Green 84.13%
    Ethereal 67.17%
    Alcoholic 48.71%
    Apple 43.91%
    Fermented 42.32%
    Fresh 41.75%
    Pungent 37.72%
    Winey 37.48%
    Sharp 35.95%

     

    Flavor
    Fruity 85.67%
    Green 80.23%
    Ethereal 36.53%
    Fruit 35.1%
    Apple 34.72%
    Sweet 34.43%
    Earthy 32.26%
    Wine 30.87%
    Banana 26.13%
    Grassy 25.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.05 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 120.00 to 121.00 °C. @ 760.00 mm Hg

    Flash point

    • 12.99 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in fat
    • soluble (in ethanol)

  • Synonyms

    • 1-Ethoxy-3-methyl-2-butene
    • 1-ethoxy-3-methylbut-2-ene
    • 22094-00-4
    • Prenyl ethyl ether
    • Ethyl 3-methyl-2-butenyl ether
    • 2-Butene,1-ethoxy-3-methyl-
    • Ether, ethyl 3-methyl-2-butenyl
    • 775CF2Y50F
    • UNII-775CF2Y50F
    • 2-Butene, 1-ethoxy-3-methyl-
    • ETHYL PRENYL ETHER
    • FEMA NO. 3777
    • DTXSID20176599
    • 1-ETHOXY-3-METHYL-2-BUTENE [FHFI]
    • SCHEMBL294026
    • DTXCID3099090
    • CHEBI:195737
    • HPMSQLYFMOOLKS-UHFFFAOYSA-N
    • 1-Ethoxy-3-methyl-2-butene, 9CI
    • DB-363561
    • NS00021864
    • G55534
    • EN300-2524233
    • Q27266549
    • 606-931-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 734.42
    methanol 507.47
    isopropanol 762.89
    water 3.23
    ethyl acetate 350.86
    n-propanol 694.48
    acetone 426.3
    n-butanol 734.31
    acetonitrile 461.35
    DMF 379.44
    toluene 278.27
    isobutanol 520.06
    1,4-dioxane 902.38
    methyl acetate 338.55
    THF 1001.67
    2-butanone 395.07
    n-pentanol 399.86
    sec-butanol 775.19
    n-hexane 411.82
    ethylene glycol 174.3
    NMP 419.17
    cyclohexane 728.06
    DMSO 381.46
    n-butyl acetate 326.31
    n-octanol 390.44
    chloroform 2019.86
    n-propyl acetate 188.24
    acetic acid 609.53
    dichloromethane 1123.21
    cyclohexanone 593.1
    propylene glycol 393.21
    isopropyl acetate 187.49
    DMAc 370.75
    2-ethoxyethanol 374.57
    isopentanol 465.81
    n-heptane 510.35
    ethyl formate 206.48
    1,2-dichloroethane 482.65
    n-hexanol 765.52
    2-methoxyethanol 606.21
    isobutyl acetate 136.32
    tetrachloromethane 486.31
    n-pentyl acetate 216.19
    transcutol 961.27
    n-heptanol 334.05
    ethylbenzene 178.02
    MIBK 161.85
    2-propoxyethanol 580.65
    tert-butanol 930.9
    MTBE 499.78
    2-butoxyethanol 348.16
    propionic acid 467.21
    o-xylene 208.57
    formic acid 124.23
    diethyl ether 508.16
    m-xylene 177.12
    p-xylene 228.48
    chlorobenzene 312.21
    dimethyl carbonate 84.14
    n-octane 131.85
    formamide 132.29
    cyclopentanone 526.94
    2-pentanone 291.38
    anisole 246.72
    cyclopentyl methyl ether 490.93
    gamma-butyrolactone 468.69
    1-methoxy-2-propanol 562.36
    pyridine 602.94
    3-pentanone 244.09
    furfural 418.21
    n-dodecane 88.8
    diethylene glycol 376.56
    diisopropyl ether 161.06
    tert-amyl alcohol 771.49
    acetylacetone 227.27
    n-hexadecane 94.36
    acetophenone 198.78
    methyl propionate 252.56
    isopentyl acetate 267.25
    trichloroethylene 876.18
    n-nonanol 329.68
    cyclohexanol 778.53
    benzyl alcohol 236.87
    2-ethylhexanol 473.53
    isooctanol 237.07
    dipropyl ether 485.07
    1,2-dichlorobenzene 286.22
    ethyl lactate 150.3
    propylene carbonate 284.94
    n-methylformamide 200.64
    2-pentanol 521.97
    n-pentane 396.61
    1-propoxy-2-propanol 566.03
    1-methoxy-2-propyl acetate 244.03
    2-(2-methoxypropoxy) propanol 334.5
    mesitylene 118.89
    ε-caprolactone 480.69
    p-cymene 180.14
    epichlorohydrin 495.53
    1,1,1-trichloroethane 781.55
    2-aminoethanol 365.8
    morpholine-4-carbaldehyde 455.25
    sulfolane 464.96
    2,2,4-trimethylpentane 128.16
    2-methyltetrahydrofuran 847.85
    n-hexyl acetate 371.74
    isooctane 87.35
    2-(2-butoxyethoxy)ethanol 439.95
    sec-butyl acetate 147.42
    tert-butyl acetate 192.12
    decalin 160.98
    glycerin 339.36
    diglyme 603.99
    acrylic acid 365.91
    isopropyl myristate 178.03
    n-butyric acid 573.3
    acetyl acetate 204.74
    di(2-ethylhexyl) phthalate 159.45
    ethyl propionate 188.75
    nitromethane 461.68
    1,2-diethoxyethane 348.68
    benzonitrile 321.58
    trioctyl phosphate 130.35
    1-bromopropane 538.06
    gamma-valerolactone 519.5
    n-decanol 250.95
    triethyl phosphate 156.16
    4-methyl-2-pentanol 223.09
    propionitrile 447.92
    vinylene carbonate 271.82
    1,1,2-trichlorotrifluoroethane 558.34
    DMS 196.36
    cumene 134.55
    2-octanol 255.01
    2-hexanone 228.6
    octyl acetate 236.28
    limonene 339.16
    1,2-dimethoxyethane 499.6
    ethyl orthosilicate 168.02
    tributyl phosphate 149.06
    diacetone alcohol 270.69
    N,N-dimethylaniline 199.6
    acrylonitrile 391.62
    aniline 357.79
    1,3-propanediol 428.19
    bromobenzene 327.71
    dibromomethane 954.97
    1,1,2,2-tetrachloroethane 927.8
    2-methyl-cyclohexyl acetate 248.75
    tetrabutyl urea 179.57
    diisobutyl methanol 219.76
    2-phenylethanol 281.36
    styrene 211.07
    dioctyl adipate 241.34
    dimethyl sulfate 118.8
    ethyl butyrate 248.17
    methyl lactate 180.42
    butyl lactate 212.48
    diethyl carbonate 180.71
    propanediol butyl ether 362.9
    triethyl orthoformate 231.69
    p-tert-butyltoluene 180.92
    methyl 4-tert-butylbenzoate 253.29
    morpholine 1041.18
    tert-butylamine 758.47
    n-dodecanol 211.34
    dimethoxymethane 237.27
    ethylene carbonate 230.74
    cyrene 235.9
    2-ethoxyethyl acetate 204.94
    2-ethylhexyl acetate 245.76
    1,2,4-trichlorobenzene 347.52
    4-methylpyridine 478.55
    dibutyl ether 397.62
    2,6-dimethyl-4-heptanol 219.76
    DEF 304.8
    dimethyl isosorbide 406.16
    tetrachloroethylene 591.16
    eugenol 245.08
    triacetin 324.59
    span 80 449.52
    1,4-butanediol 184.24
    1,1-dichloroethane 740.54
    2-methyl-1-pentanol 316.88
    methyl formate 134.68
    2-methyl-1-butanol 504.83
    n-decane 149.78
    butyronitrile 507.6
    3,7-dimethyl-1-octanol 312.75
    1-chlorooctane 272.76
    1-chlorotetradecane 123.99
    n-nonane 171.07
    undecane 108.83
    tert-butylcyclohexane 148.01
    cyclooctane 215.23
    cyclopentanol 722.63
    tetrahydropyran 1119.42
    tert-amyl methyl ether 385.72
    2,5,8-trioxanonane 486.33
    1-hexene 528.48
    2-isopropoxyethanol 283.33
    2,2,2-trifluoroethanol 168.71
    methyl butyrate 235.94

    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