Butane, 1,1-dimethoxy-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4461-87-4

    Molecular formula
    C6H14O2

    SMILES
    CCCC(OC)OC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Ethereal 88.31%
    Green 72.26%
    Alcoholic 67.05%
    Fruity 63.16%
    Cognac 61.59%
    Fermented 54.98%
    Malty 41.31%
    Fresh 39.65%
    Apple 38.98%
    Brandy 38.3%

     

    Flavor
    Sweet 64.31%
    Green 62.53%
    Fruity 51.2%
    Ether 47.55%
    Earthy 39.86%
    Vegetable 38.21%
    Alcoholic 37.64%
    Fruit 36.19%
    Ethereal 34.19%
    Alcohol 31.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.93 (neutral)

    Molecular weight
    118.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    112°C

    Flash point

    • 9.18 ˚C est.

  • Synonyms

    • 1,1-Dimethoxybutane
    • 4461-87-4
    • Butane, 1,1-dimethoxy-
    • DTXSID60196251
    • Butane, dimethoxy-
    • Butanal dimethyl acetal
    • butyraldehyde dimethyl acetal
    • MFCD22199804
    • 1,1-dimethoxy-butane
    • SCHEMBL26276
    • DTXCID70118742
    • DZKUKLGGGNLHNY-UHFFFAOYSA-N
    • AKOS015851547
    • BS-18940
    • A11051
    • EN300-247496

  • Applications

    Butane, 1,1-dimethoxy- (CAS 4461-87-4) is primarily used as an acetal protecting group in organic synthesis, enabling protection of carbonyl functionality during multi-step sequences. It also serves as a solvent or reaction medium in industrial manufacturing and as a building block for preparing other acetals and ether derivatives. The compound functions as an intermediate in the production of fine chemicals and pharmaceuticals, and can be a precursor in polymer materials production and specialty coatings or cleaning formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2404.26
    methanol 2881.4
    isopropanol 2064.83
    water 11.81
    ethyl acetate 1454.58
    n-propanol 2134.67
    acetone 1696.06
    n-butanol 1950.96
    acetonitrile 2288.9
    DMF 1451.01
    toluene 695.13
    isobutanol 1641.35
    1,4-dioxane 2413.75
    methyl acetate 1433.92
    THF 2465.67
    2-butanone 1566.54
    n-pentanol 1253.82
    sec-butanol 2214.29
    n-hexane 624.03
    ethylene glycol 578.09
    NMP 1496.48
    cyclohexane 1018.01
    DMSO 1594.36
    n-butyl acetate 1385.49
    n-octanol 753.27
    chloroform 6953.33
    n-propyl acetate 1056.14
    acetic acid 3403.25
    dichloromethane 5737.72
    cyclohexanone 2252.9
    propylene glycol 718.44
    isopropyl acetate 822.4
    DMAc 1106.06
    2-ethoxyethanol 1511.98
    isopentanol 1488.86
    n-heptane 471.8
    ethyl formate 1103.99
    1,2-dichloroethane 2622.22
    n-hexanol 1321.93
    2-methoxyethanol 2050.06
    isobutyl acetate 619.62
    tetrachloromethane 2100.18
    n-pentyl acetate 906.52
    transcutol 2104.95
    n-heptanol 695.47
    ethylbenzene 454.01
    MIBK 668.81
    2-propoxyethanol 1437.7
    tert-butanol 2367.5
    MTBE 1809.11
    2-butoxyethanol 914.32
    propionic acid 1941.62
    o-xylene 536.63
    formic acid 928.9
    diethyl ether 1965.76
    m-xylene 464.88
    p-xylene 662.55
    chlorobenzene 1247.9
    dimethyl carbonate 294.12
    n-octane 180.94
    formamide 860.11
    cyclopentanone 2024.79
    2-pentanone 1174.37
    anisole 718.51
    cyclopentyl methyl ether 1489.73
    gamma-butyrolactone 2212.13
    1-methoxy-2-propanol 1330.26
    pyridine 1985.76
    3-pentanone 926.6
    furfural 1776.03
    n-dodecane 112.71
    diethylene glycol 943.82
    diisopropyl ether 540.82
    tert-amyl alcohol 2250.72
    acetylacetone 887.54
    n-hexadecane 124.28
    acetophenone 662.78
    methyl propionate 898.42
    isopentyl acetate 1019.9
    trichloroethylene 4647.8
    n-nonanol 592.33
    cyclohexanol 1996.13
    benzyl alcohol 738.56
    2-ethylhexanol 887.48
    isooctanol 579.35
    dipropyl ether 1022.5
    1,2-dichlorobenzene 1131.06
    ethyl lactate 453.63
    propylene carbonate 1271.08
    n-methylformamide 1118.56
    2-pentanol 1442.05
    n-pentane 589.08
    1-propoxy-2-propanol 1156.94
    1-methoxy-2-propyl acetate 716.0
    2-(2-methoxypropoxy) propanol 537.65
    mesitylene 341.56
    ε-caprolactone 1926.53
    p-cymene 416.41
    epichlorohydrin 2244.39
    1,1,1-trichloroethane 3157.58
    2-aminoethanol 1071.85
    morpholine-4-carbaldehyde 1419.33
    sulfolane 2307.5
    2,2,4-trimethylpentane 295.06
    2-methyltetrahydrofuran 2644.84
    n-hexyl acetate 1135.1
    isooctane 177.69
    2-(2-butoxyethoxy)ethanol 797.11
    sec-butyl acetate 679.47
    tert-butyl acetate 827.89
    decalin 311.37
    glycerin 848.54
    diglyme 1517.94
    acrylic acid 1588.08
    isopropyl myristate 390.19
    n-butyric acid 2294.89
    acetyl acetate 867.78
    di(2-ethylhexyl) phthalate 318.79
    ethyl propionate 783.23
    nitromethane 2632.54
    1,2-diethoxyethane 1089.13
    benzonitrile 1249.63
    trioctyl phosphate 285.4
    1-bromopropane 2122.49
    gamma-valerolactone 1999.01
    n-decanol 403.45
    triethyl phosphate 389.95
    4-methyl-2-pentanol 628.42
    propionitrile 1894.64
    vinylene carbonate 1212.17
    1,1,2-trichlorotrifluoroethane 1968.48
    DMS 512.22
    cumene 346.61
    2-octanol 598.26
    2-hexanone 982.56
    octyl acetate 485.73
    limonene 700.88
    1,2-dimethoxyethane 2070.33
    ethyl orthosilicate 405.07
    tributyl phosphate 349.1
    diacetone alcohol 827.57
    N,N-dimethylaniline 493.32
    acrylonitrile 1909.55
    aniline 974.38
    1,3-propanediol 1383.53
    bromobenzene 1328.47
    dibromomethane 4142.47
    1,1,2,2-tetrachloroethane 3661.14
    2-methyl-cyclohexyl acetate 634.81
    tetrabutyl urea 376.32
    diisobutyl methanol 495.03
    2-phenylethanol 670.55
    styrene 580.63
    dioctyl adipate 477.04
    dimethyl sulfate 468.72
    ethyl butyrate 946.71
    methyl lactate 464.06
    butyl lactate 586.8
    diethyl carbonate 577.9
    propanediol butyl ether 742.63
    triethyl orthoformate 634.49
    p-tert-butyltoluene 390.34
    methyl 4-tert-butylbenzoate 590.08
    morpholine 2638.14
    tert-butylamine 1810.07
    n-dodecanol 302.71
    dimethoxymethane 875.21
    ethylene carbonate 1058.19
    cyrene 521.7
    2-ethoxyethyl acetate 755.62
    2-ethylhexyl acetate 837.04
    1,2,4-trichlorobenzene 1304.8
    4-methylpyridine 1747.93
    dibutyl ether 931.39
    2,6-dimethyl-4-heptanol 495.03
    DEF 1271.4
    dimethyl isosorbide 840.6
    tetrachloroethylene 3005.55
    eugenol 555.85
    triacetin 740.5
    span 80 620.7
    1,4-butanediol 688.74
    1,1-dichloroethane 3140.76
    2-methyl-1-pentanol 1067.32
    methyl formate 862.44
    2-methyl-1-butanol 1602.72
    n-decane 200.08
    butyronitrile 2022.69
    3,7-dimethyl-1-octanol 680.96
    1-chlorooctane 613.4
    1-chlorotetradecane 220.02
    n-nonane 232.31
    undecane 140.25
    tert-butylcyclohexane 317.75
    cyclooctane 289.38
    cyclopentanol 1991.41
    tetrahydropyran 2787.29
    tert-amyl methyl ether 1281.88
    2,5,8-trioxanonane 830.27
    1-hexene 1259.69
    2-isopropoxyethanol 1045.37
    2,2,2-trifluoroethanol 909.41
    methyl butyrate 1219.93

    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