3,3-Dimethoxybutan-2-ol

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  • Identifiers

    CAS number
    2371-17-7

    Molecular formula
    C6H14O3

    SMILES
    CC(C(C)(OC)OC)O

  • Odor profile

    Fragrance
    Fruity 81.26%
    Ethereal 50.92%
    Buttery 43.09%
    Alcoholic 31.18%
    Fermented 29.22%
    Nutty 26.9%
    Milky 24.68%
    Caramellic 22.77%
    Sweet 22.74%
    Dairy 22.57%

     

    Flavor
    Fruity 57.36%
    Green 50.18%
    Sweet 45.46%
    Bitter 33.73%
    Ether 31.81%
    Alcoholic 31.78%
    Fruit 31.49%
    Earthy 28.92%
    Sharp 28.53%
    Fatty 28.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.0

    pKa est.
    8.05 (weak base)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    155°C

    Flash point

    • 48.3 ˚C est.

  • Synonyms

    • 3,3-Dimethoxybutan-2-ol
    • 2371-17-7
    • EINECS 219-141-6
    • 3,3-dimethoxy-2-butanol
    • SCHEMBL7928068
    • DTXSID00946515
    • NS00049390

  • Applications

    3,3-Dimethoxybutan-2-ol (CAS 2371-17-7) is primarily used as an organic synthesis intermediate. In industrial manufacturing it may serve as a precursor for pharmaceutical and agrochemical building blocks, and as a protected form of carbonyl compounds in acetal-type chemistry. It is sometimes employed as a solvent or co-solvent in formulation, coating, and process operations, depending on regulatory limits. It can also be used as a building block for specialty polymers or resins where the dimethoxy functionality participates in subsequent reactions. Its use in fragrance or flavor chemistry may be evaluated for aroma compound synthesis, but such use is not universal. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1112.38
    methanol 1825.5
    isopropanol 810.64
    water 231.59
    ethyl acetate 346.48
    n-propanol 911.25
    acetone 447.92
    n-butanol 699.65
    acetonitrile 537.61
    DMF 776.84
    toluene 132.97
    isobutanol 622.42
    1,4-dioxane 955.78
    methyl acetate 385.9
    THF 873.21
    2-butanone 402.17
    n-pentanol 476.35
    sec-butanol 755.6
    n-hexane 107.49
    ethylene glycol 441.65
    NMP 567.75
    cyclohexane 202.1
    DMSO 877.99
    n-butyl acetate 138.29
    n-octanol 154.55
    chloroform 979.56
    n-propyl acetate 164.17
    acetic acid 1200.87
    dichloromethane 1038.53
    cyclohexanone 471.79
    propylene glycol 340.71
    isopropyl acetate 173.94
    DMAc 606.76
    2-ethoxyethanol 901.61
    isopentanol 458.78
    n-heptane 71.65
    ethyl formate 349.54
    1,2-dichloroethane 560.18
    n-hexanol 278.03
    2-methoxyethanol 1325.4
    isobutyl acetate 87.95
    tetrachloromethane 357.33
    n-pentyl acetate 118.71
    transcutol 651.13
    n-heptanol 150.07
    ethylbenzene 93.05
    MIBK 149.97
    2-propoxyethanol 436.4
    tert-butanol 963.91
    MTBE 612.24
    2-butoxyethanol 251.91
    propionic acid 559.18
    o-xylene 130.16
    formic acid 1243.92
    diethyl ether 659.43
    m-xylene 84.92
    p-xylene 138.17
    chlorobenzene 181.82
    dimethyl carbonate 94.56
    n-octane 31.03
    formamide 1119.91
    cyclopentanone 447.76
    2-pentanone 280.1
    anisole 202.4
    cyclopentyl methyl ether 433.53
    gamma-butyrolactone 505.72
    1-methoxy-2-propanol 602.54
    pyridine 441.67
    3-pentanone 262.56
    furfural 514.93
    n-dodecane 18.61
    diethylene glycol 423.38
    diisopropyl ether 150.85
    tert-amyl alcohol 898.26
    acetylacetone 232.32
    n-hexadecane 20.12
    acetophenone 167.24
    methyl propionate 261.73
    isopentyl acetate 130.7
    trichloroethylene 763.2
    n-nonanol 132.12
    cyclohexanol 585.55
    benzyl alcohol 217.16
    2-ethylhexanol 150.51
    isooctanol 119.74
    dipropyl ether 194.34
    1,2-dichlorobenzene 196.91
    ethyl lactate 105.43
    propylene carbonate 237.05
    n-methylformamide 640.11
    2-pentanol 446.65
    n-pentane 140.59
    1-propoxy-2-propanol 233.4
    1-methoxy-2-propyl acetate 133.19
    2-(2-methoxypropoxy) propanol 185.48
    mesitylene 68.0
    ε-caprolactone 441.03
    p-cymene 70.67
    epichlorohydrin 620.72
    1,1,1-trichloroethane 443.05
    2-aminoethanol 737.71
    morpholine-4-carbaldehyde 648.86
    sulfolane 609.93
    2,2,4-trimethylpentane 74.66
    2-methyltetrahydrofuran 784.77
    n-hexyl acetate 157.11
    isooctane 31.89
    2-(2-butoxyethoxy)ethanol 233.6
    sec-butyl acetate 114.19
    tert-butyl acetate 199.75
    decalin 61.94
    glycerin 507.09
    diglyme 504.89
    acrylic acid 480.93
    isopropyl myristate 66.5
    n-butyric acid 531.65
    acetyl acetate 202.74
    di(2-ethylhexyl) phthalate 67.66
    ethyl propionate 164.45
    nitromethane 1006.5
    1,2-diethoxyethane 245.55
    benzonitrile 203.57
    trioctyl phosphate 52.76
    1-bromopropane 393.02
    gamma-valerolactone 621.61
    n-decanol 90.25
    triethyl phosphate 93.91
    4-methyl-2-pentanol 178.74
    propionitrile 396.6
    vinylene carbonate 242.73
    1,1,2-trichlorotrifluoroethane 562.47
    DMS 110.73
    cumene 77.91
    2-octanol 114.88
    2-hexanone 180.79
    octyl acetate 83.17
    limonene 119.78
    1,2-dimethoxyethane 887.09
    ethyl orthosilicate 104.08
    tributyl phosphate 65.85
    diacetone alcohol 248.21
    N,N-dimethylaniline 160.44
    acrylonitrile 390.7
    aniline 253.02
    1,3-propanediol 887.2
    bromobenzene 166.67
    dibromomethane 719.49
    1,1,2,2-tetrachloroethane 653.96
    2-methyl-cyclohexyl acetate 122.75
    tetrabutyl urea 84.64
    diisobutyl methanol 90.97
    2-phenylethanol 143.36
    styrene 106.86
    dioctyl adipate 98.45
    dimethyl sulfate 175.58
    ethyl butyrate 132.44
    methyl lactate 145.59
    butyl lactate 100.11
    diethyl carbonate 100.31
    propanediol butyl ether 174.6
    triethyl orthoformate 131.19
    p-tert-butyltoluene 68.31
    methyl 4-tert-butylbenzoate 155.08
    morpholine 1093.3
    tert-butylamine 680.19
    n-dodecanol 67.3
    dimethoxymethane 458.37
    ethylene carbonate 218.47
    cyrene 203.22
    2-ethoxyethyl acetate 148.03
    2-ethylhexyl acetate 113.64
    1,2,4-trichlorobenzene 235.58
    4-methylpyridine 345.44
    dibutyl ether 143.48
    2,6-dimethyl-4-heptanol 90.97
    DEF 389.99
    dimethyl isosorbide 265.77
    tetrachloroethylene 609.64
    eugenol 147.65
    triacetin 149.75
    span 80 147.0
    1,4-butanediol 405.72
    1,1-dichloroethane 478.62
    2-methyl-1-pentanol 351.18
    methyl formate 423.35
    2-methyl-1-butanol 536.52
    n-decane 37.12
    butyronitrile 388.75
    3,7-dimethyl-1-octanol 131.86
    1-chlorooctane 96.04
    1-chlorotetradecane 37.38
    n-nonane 38.01
    undecane 24.51
    tert-butylcyclohexane 55.58
    cyclooctane 65.99
    cyclopentanol 629.43
    tetrahydropyran 834.06
    tert-amyl methyl ether 491.95
    2,5,8-trioxanonane 333.17
    1-hexene 201.6
    2-isopropoxyethanol 451.39
    2,2,2-trifluoroethanol 542.77
    methyl butyrate 227.23

    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