Butane, 1-methoxy-3-methyl-

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  • Identifiers

    CAS number
    626-91-5

    Molecular formula
    C6H14O

    SMILES
    CC(C)CCOC

    Safety labels

  • Odor profile

    Fragrance
    Ethereal 80.77%
    Fruity 76.89%
    Green 68.86%
    Alcoholic 54.74%
    Fermented 53.93%
    Fresh 51.12%
    Sweet 44.39%
    Winey 43.07%
    Solvent 41.22%
    Pungent 40.49%

     

    Flavor
    Fruity 62.54%
    Green 46.85%
    Ethereal 41.92%
    Ether 32.83%
    Wine 30.57%
    Fusel 27.75%
    Alcoholic 26.63%
    Banana 26.02%
    Fermented 25.81%
    Earthy 25.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.9 (neutral)

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    93°C

    Flash point

    • -3.41 ˚C est.

  • Synonyms

    • Butane, 1-methoxy-3-methyl-
    • 626-91-5
    • DTXSID00211654
    • RefChem:1080248
    • DTXCID30134145
    • 1-Methoxy-3-methylbutane
    • METHYL ISOAMYL ETHER
    • Ether, isopentyl methyl
    • 1-Methoxy-3-methyl Butane
    • 1-Methoxy-isopentane
    • methyl isopentyl ether
    • Isopentyl methyl ether
    • 4-Methoxy-2-methylbutane
    • Methyl 3-methylbutyl ether
    • SCHEMBL57483
    • 1-Methoxy-3-methylbutane #
    • SCHEMBL128636
    • (CH3)2CHCH2CH2OCH3
    • SCHEMBL1133791
    • SCHEMBL1298099
    • SCHEMBL1430229
    • SCHEMBL1508123
    • SCHEMBL1698070
    • SCHEMBL4637693
    • SCHEMBL7279323
    • SCHEMBL7675766
    • SCHEMBL13389168
    • ZQAYBCWERYRAMF-UHFFFAOYSA-N
    • Q63396563
    • 626-91-5

  • Applications

    Butane, 1-methoxy-3-methyl-, CAS 626-91-5 is an aliphatic ether commonly used as a solvent in a range of industrial formulations. Typical applications include: as a solvent for coatings, inks, and adhesives; as an intermediate or processing solvent in organic synthesis; as a component in fragrance and flavor formulations as a solvent or carrier; in cosmetics/personal care formulations as a solvent or processing aid; in cleaning formulations and household products as a solvent; in polymers/plastics processing as a processing aid or solvent; and potentially in electronics manufacturing as a solvent for cleaning or formulation processing. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 413.23
    methanol 292.73
    isopropanol 477.41
    water 1.74
    ethyl acetate 254.55
    n-propanol 461.52
    acetone 312.04
    n-butanol 447.55
    acetonitrile 238.88
    DMF 238.32
    toluene 121.64
    isobutanol 394.6
    1,4-dioxane 448.25
    methyl acetate 264.36
    THF 611.47
    2-butanone 313.71
    n-pentanol 238.84
    sec-butanol 515.23
    n-hexane 149.88
    ethylene glycol 136.01
    NMP 339.63
    cyclohexane 235.23
    DMSO 294.14
    n-butyl acetate 345.93
    n-octanol 239.66
    chloroform 1210.57
    n-propyl acetate 162.91
    acetic acid 532.49
    dichloromethane 657.92
    cyclohexanone 509.23
    propylene glycol 305.15
    isopropyl acetate 163.42
    DMAc 219.13
    2-ethoxyethanol 248.97
    isopentanol 360.85
    n-heptane 199.29
    ethyl formate 172.89
    1,2-dichloroethane 338.06
    n-hexanol 522.07
    2-methoxyethanol 416.84
    isobutyl acetate 132.82
    tetrachloromethane 327.19
    n-pentyl acetate 175.13
    transcutol 733.61
    n-heptanol 245.43
    ethylbenzene 88.94
    MIBK 143.64
    2-propoxyethanol 471.03
    tert-butanol 670.52
    MTBE 355.69
    2-butoxyethanol 292.51
    propionic acid 451.39
    o-xylene 114.77
    formic acid 112.09
    diethyl ether 243.93
    m-xylene 103.97
    p-xylene 122.72
    chlorobenzene 216.57
    dimethyl carbonate 66.28
    n-octane 56.28
    formamide 85.69
    cyclopentanone 499.14
    2-pentanone 222.76
    anisole 157.83
    cyclopentyl methyl ether 323.43
    gamma-butyrolactone 508.22
    1-methoxy-2-propanol 378.33
    pyridine 335.98
    3-pentanone 185.47
    furfural 454.45
    n-dodecane 39.88
    diethylene glycol 312.12
    diisopropyl ether 102.44
    tert-amyl alcohol 581.22
    acetylacetone 205.21
    n-hexadecane 43.42
    acetophenone 149.53
    methyl propionate 196.07
    isopentyl acetate 310.98
    trichloroethylene 754.13
    n-nonanol 206.78
    cyclohexanol 534.2
    benzyl alcohol 159.48
    2-ethylhexanol 356.44
    isooctanol 207.82
    dipropyl ether 304.92
    1,2-dichlorobenzene 230.46
    ethyl lactate 136.03
    propylene carbonate 343.61
    n-methylformamide 158.69
    2-pentanol 347.99
    n-pentane 128.05
    1-propoxy-2-propanol 482.22
    1-methoxy-2-propyl acetate 277.86
    2-(2-methoxypropoxy) propanol 283.94
    mesitylene 80.36
    ε-caprolactone 417.68
    p-cymene 134.7
    epichlorohydrin 445.85
    1,1,1-trichloroethane 628.57
    2-aminoethanol 267.18
    morpholine-4-carbaldehyde 335.08
    sulfolane 567.66
    2,2,4-trimethylpentane 78.83
    2-methyltetrahydrofuran 568.76
    n-hexyl acetate 290.11
    isooctane 58.31
    2-(2-butoxyethoxy)ethanol 357.75
    sec-butyl acetate 128.24
    tert-butyl acetate 195.81
    decalin 87.95
    glycerin 332.25
    diglyme 494.65
    acrylic acid 346.43
    isopropyl myristate 140.5
    n-butyric acid 554.47
    acetyl acetate 174.51
    di(2-ethylhexyl) phthalate 134.95
    ethyl propionate 144.29
    nitromethane 373.25
    1,2-diethoxyethane 225.03
    benzonitrile 221.03
    trioctyl phosphate 113.54
    1-bromopropane 330.91
    gamma-valerolactone 507.07
    n-decanol 157.78
    triethyl phosphate 136.49
    4-methyl-2-pentanol 186.15
    propionitrile 297.56
    vinylene carbonate 277.11
    1,1,2-trichlorotrifluoroethane 566.46
    DMS 161.21
    cumene 84.73
    2-octanol 173.82
    2-hexanone 187.01
    octyl acetate 173.45
    limonene 244.18
    1,2-dimethoxyethane 311.16
    ethyl orthosilicate 138.05
    tributyl phosphate 131.04
    diacetone alcohol 299.35
    N,N-dimethylaniline 114.84
    acrylonitrile 291.11
    aniline 222.27
    1,3-propanediol 337.63
    bromobenzene 227.75
    dibromomethane 543.03
    1,1,2,2-tetrachloroethane 773.15
    2-methyl-cyclohexyl acetate 252.45
    tetrabutyl urea 143.63
    diisobutyl methanol 211.82
    2-phenylethanol 235.03
    styrene 102.67
    dioctyl adipate 187.66
    dimethyl sulfate 119.56
    ethyl butyrate 227.88
    methyl lactate 169.6
    butyl lactate 207.26
    diethyl carbonate 158.94
    propanediol butyl ether 318.33
    triethyl orthoformate 199.43
    p-tert-butyltoluene 141.67
    methyl 4-tert-butylbenzoate 224.97
    morpholine 529.38
    tert-butylamine 488.95
    n-dodecanol 126.23
    dimethoxymethane 140.81
    ethylene carbonate 232.16
    cyrene 203.48
    2-ethoxyethyl acetate 180.16
    2-ethylhexyl acetate 251.06
    1,2,4-trichlorobenzene 307.71
    4-methylpyridine 292.39
    dibutyl ether 222.48
    2,6-dimethyl-4-heptanol 211.82
    DEF 207.84
    dimethyl isosorbide 371.66
    tetrachloroethylene 511.24
    eugenol 218.58
    triacetin 267.45
    span 80 357.03
    1,4-butanediol 135.24
    1,1-dichloroethane 529.36
    2-methyl-1-pentanol 210.09
    methyl formate 124.71
    2-methyl-1-butanol 377.83
    n-decane 63.81
    butyronitrile 303.4
    3,7-dimethyl-1-octanol 251.53
    1-chlorooctane 168.57
    1-chlorotetradecane 74.06
    n-nonane 70.87
    undecane 47.98
    tert-butylcyclohexane 95.12
    cyclooctane 73.63
    cyclopentanol 541.75
    tetrahydropyran 574.55
    tert-amyl methyl ether 268.62
    2,5,8-trioxanonane 364.96
    1-hexene 258.65
    2-isopropoxyethanol 205.1
    2,2,2-trifluoroethanol 174.34
    methyl butyrate 194.1

    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