3-Methyl-3-((3-methyl-2-butenyl)oxy)but-1-ene

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  • Identifiers

    CAS number
    34454-77-8

    Molecular formula
    C10H18O

    SMILES
    CC(=CCOC(C)(C)C=C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.64%
    Green 71.84%
    Herbal 66.57%
    Fresh 49.65%
    Citrus 44.46%
    Floral 41.18%
    Earthy 38.27%
    Tropical 36.97%
    Mint 35.01%
    Ethereal 33.64%

     

    Flavor
    Green 70.24%
    Citrus 53.33%
    Fruity 51.46%
    Herbal 49.76%
    Lavender 46.07%
    Sweet 43.74%
    Woody 39.13%
    Floral 38.69%
    Herb 37.04%
    Bergamot 36.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.15 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    172°C

    Flash point

    • 44.48 ˚C est.

  • Synonyms

    • 34454-77-8
    • EINECS 252-042-6
    • 1-Butene, 3-methyl-3-[(3-methyl-2-butenyl)oxy]-
    • gamma,gamma-Dimethylallyl alpha,alpha-dimethylallyl ether
    • DTXSID5067847
    • 3-Methyl-3-((3-methyl-2-butenyl)oxy)but-1-ene
    • 1-Butene, 3-methyl-3-((3-methyl-2-butenyl)oxy)-
    • 1-Butene, 3-methyl-3-((3-methyl-2-buten-1-yl)oxy)-
    • 3-METHYL-3-[(3-METHYL-2-BUTENYL)OXY]BUT-1-ENE
    • 1-Butene, 3-methyl-3-[(3-methyl-2-buten-1-yl)oxy]-
    • RefChem:503741
    • DTXCID3038856
    • 252-042-6
    • SCHEMBL9369217
    • AKOS006326430
    • NS00029669
    • 3-Methyl-3-(3-methyl-but-2-enyloxy)-but-1-ene
    • 1,1-Dimethyl-2-propenyl 3-methyl-2-butenyl ether
    • 3-Methyl-3-[(3-methyl-2-butenyl)oxy]-1-butene #
    • 3-Methyl-3-[(3-methylbut-2-en-1-yl)oxy]but-1-ene
    • 34454-77-8

  • Applications

    The chemical 3-Methyl-3-((3-methyl-2-butenyl)oxy)but-1-ene (CAS 34454-77-8) is primarily encountered as an intermediate in fragrance synthesis and as a fragrance-related component in various formulations; in perfumery, it may serve as an odorant or a precursor to more complex aroma molecules; in cosmetics and personal care, it can be used as a fragrance ingredient; in household and cleaning products, it is employed as an odorant additive; in industrial manufacturing, it functions as an intermediate for specialty chemicals and functional materials; in polymers, plastics, coatings, and inks, the vinyl group enables copolymerization or surface-functionalization, making it a potential monomer or reactive additive for polymer and coating formulations; final usage depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 546.85
    methanol 463.76
    isopropanol 445.94
    water 3.41
    ethyl acetate 375.86
    n-propanol 425.27
    acetone 212.4
    n-butanol 527.06
    acetonitrile 261.06
    DMF 214.32
    toluene 344.83
    isobutanol 310.87
    1,4-dioxane 881.36
    methyl acetate 272.16
    THF 828.45
    2-butanone 297.69
    n-pentanol 380.84
    sec-butanol 524.47
    n-hexane 504.62
    ethylene glycol 67.06
    NMP 285.63
    cyclohexane 577.37
    DMSO 169.5
    n-butyl acetate 396.21
    n-octanol 372.96
    chloroform 1255.91
    n-propyl acetate 229.18
    acetic acid 291.21
    dichloromethane 723.9
    cyclohexanone 402.14
    propylene glycol 158.35
    isopropyl acetate 258.61
    DMAc 365.83
    2-ethoxyethanol 370.0
    isopentanol 420.47
    n-heptane 505.39
    ethyl formate 162.65
    1,2-dichloroethane 308.66
    n-hexanol 720.29
    2-methoxyethanol 457.95
    isobutyl acetate 187.38
    tetrachloromethane 303.21
    n-pentyl acetate 272.7
    transcutol 1123.54
    n-heptanol 345.72
    ethylbenzene 251.99
    MIBK 175.97
    2-propoxyethanol 608.93
    tert-butanol 634.12
    MTBE 644.33
    2-butoxyethanol 355.76
    propionic acid 242.62
    o-xylene 252.36
    formic acid 87.52
    diethyl ether 602.68
    m-xylene 231.03
    p-xylene 327.05
    chlorobenzene 267.45
    dimethyl carbonate 74.18
    n-octane 151.56
    formamide 105.64
    cyclopentanone 285.31
    2-pentanone 261.32
    anisole 317.56
    cyclopentyl methyl ether 489.38
    gamma-butyrolactone 270.76
    1-methoxy-2-propanol 406.08
    pyridine 473.33
    3-pentanone 234.49
    furfural 269.47
    n-dodecane 96.64
    diethylene glycol 266.09
    diisopropyl ether 255.35
    tert-amyl alcohol 678.24
    acetylacetone 198.53
    n-hexadecane 103.31
    acetophenone 231.6
    methyl propionate 215.36
    isopentyl acetate 362.33
    trichloroethylene 558.87
    n-nonanol 356.37
    cyclohexanol 517.49
    benzyl alcohol 218.91
    2-ethylhexanol 522.79
    isooctanol 258.58
    dipropyl ether 553.59
    1,2-dichlorobenzene 256.28
    ethyl lactate 140.74
    propylene carbonate 224.95
    n-methylformamide 122.09
    2-pentanol 426.72
    n-pentane 391.41
    1-propoxy-2-propanol 563.01
    1-methoxy-2-propyl acetate 308.38
    2-(2-methoxypropoxy) propanol 406.44
    mesitylene 157.73
    ε-caprolactone 433.11
    p-cymene 211.89
    epichlorohydrin 378.44
    1,1,1-trichloroethane 506.45
    2-aminoethanol 198.07
    morpholine-4-carbaldehyde 417.28
    sulfolane 251.35
    2,2,4-trimethylpentane 170.18
    2-methyltetrahydrofuran 770.87
    n-hexyl acetate 453.12
    isooctane 107.49
    2-(2-butoxyethoxy)ethanol 495.7
    sec-butyl acetate 223.47
    tert-butyl acetate 274.81
    decalin 218.48
    glycerin 157.38
    diglyme 714.29
    acrylic acid 162.45
    isopropyl myristate 211.27
    n-butyric acid 384.91
    acetyl acetate 224.69
    di(2-ethylhexyl) phthalate 183.23
    ethyl propionate 233.53
    nitromethane 240.4
    1,2-diethoxyethane 501.63
    benzonitrile 247.7
    trioctyl phosphate 127.98
    1-bromopropane 444.21
    gamma-valerolactone 417.43
    n-decanol 266.37
    triethyl phosphate 191.55
    4-methyl-2-pentanol 249.32
    propionitrile 280.4
    vinylene carbonate 196.66
    1,1,2-trichlorotrifluoroethane 331.23
    DMS 201.67
    cumene 184.62
    2-octanol 272.15
    2-hexanone 251.23
    octyl acetate 269.83
    limonene 338.88
    1,2-dimethoxyethane 605.88
    ethyl orthosilicate 216.18
    tributyl phosphate 162.8
    diacetone alcohol 266.77
    N,N-dimethylaniline 257.65
    acrylonitrile 209.4
    aniline 309.01
    1,3-propanediol 264.89
    bromobenzene 288.72
    dibromomethane 626.32
    1,1,2,2-tetrachloroethane 620.5
    2-methyl-cyclohexyl acetate 328.09
    tetrabutyl urea 187.91
    diisobutyl methanol 253.21
    2-phenylethanol 316.45
    styrene 254.55
    dioctyl adipate 259.21
    dimethyl sulfate 87.46
    ethyl butyrate 318.57
    methyl lactate 123.3
    butyl lactate 203.99
    diethyl carbonate 236.22
    propanediol butyl ether 304.75
    triethyl orthoformate 323.78
    p-tert-butyltoluene 215.11
    methyl 4-tert-butylbenzoate 272.37
    morpholine 990.51
    tert-butylamine 581.84
    n-dodecanol 220.63
    dimethoxymethane 226.99
    ethylene carbonate 194.92
    cyrene 229.05
    2-ethoxyethyl acetate 269.9
    2-ethylhexyl acetate 354.69
    1,2,4-trichlorobenzene 310.35
    4-methylpyridine 449.98
    dibutyl ether 486.15
    2,6-dimethyl-4-heptanol 253.21
    DEF 308.65
    dimethyl isosorbide 473.01
    tetrachloroethylene 406.99
    eugenol 245.67
    triacetin 328.3
    span 80 434.04
    1,4-butanediol 117.63
    1,1-dichloroethane 453.04
    2-methyl-1-pentanol 363.61
    methyl formate 76.92
    2-methyl-1-butanol 401.06
    n-decane 171.24
    butyronitrile 381.06
    3,7-dimethyl-1-octanol 354.72
    1-chlorooctane 290.95
    1-chlorotetradecane 137.43
    n-nonane 179.87
    undecane 120.23
    tert-butylcyclohexane 197.43
    cyclooctane 241.73
    cyclopentanol 342.77
    tetrahydropyran 983.08
    tert-amyl methyl ether 558.57
    2,5,8-trioxanonane 521.59
    1-hexene 618.65
    2-isopropoxyethanol 289.22
    2,2,2-trifluoroethanol 91.69
    methyl butyrate 262.91

    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