Methyl 3-methoxyisobutyrate

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  • Identifiers

    CAS number
    3852-11-7

    Molecular formula
    C6H12O3

    SMILES
    CC(COC)C(=O)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 95.45%
    Sweet 71.68%
    Ethereal 68.96%
    Apple 59.01%
    Pineapple 52.08%
    Tropical 51.81%
    Rummy 50.5%
    Green 47.78%
    Fresh 43.49%
    Winey 42.55%

     

    Flavor
    Fruity 78.92%
    Sweet 57.85%
    Tropical 43.74%
    Apple 42.9%
    Green 42.47%
    Pineapple 41.37%
    Floral 36.87%
    Berry 35.02%
    Bitter 33.01%
    Fatty 27.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    6.34 (neutral)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    152°C

    Flash point

    • 42.84 ˚C est.

  • Synonyms

    • Methyl 3-methoxyisobutyrate
    • EINECS 223-359-7
    • Propanoic acid, 3-methoxy-2-methyl-, methyl ester
    • RefChem:815549
    • 223-359-7
    • 3852-11-7
    • Methyl 3-methoxy-2-methylpropanoate
    • 3-Methoxyisobutyric Acid Methyl Ester
    • MFCD00671553
    • Methyl3-methoxyisobutyrate
    • 3-Methoxy-2-methylpropionic Acid Methyl Ester
    • SCHEMBL445678
    • SCHEMBL2195115
    • DTXSID90959376
    • Methyl 3-Methoxy-2-methylpropionate
    • methyl 3-methoxy-2-methyl-propanoate
    • Methyl 3-methoxy-2-methylpropanoate #
    • SY053037
    • CS-0452050
    • M1191
    • NS00045640
    • 3-methoxy-2-methyl-propionic acid methyl ester
    • EN300-139107
    • 3852-11-7

  • Applications

    Methyl 3-methoxyisobutyrate (CAS 3852-11-7) is used primarily as an intermediate in organic synthesis and is commonly employed as a fragrance ingredient in perfumery and cosmetics; it may also function as a solvent or processing aid in coatings, inks, and adhesives, and can serve as a precursor for specialty polymers and plastics in industrial manufacturing, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2622.91
    methanol 3932.28
    isopropanol 1694.2
    water 92.27
    ethyl acetate 542.15
    n-propanol 1573.15
    acetone 726.11
    n-butanol 1482.76
    acetonitrile 1413.27
    DMF 1180.9
    toluene 357.96
    isobutanol 1064.39
    1,4-dioxane 1929.4
    methyl acetate 672.61
    THF 1359.96
    2-butanone 615.74
    n-pentanol 951.49
    sec-butanol 1291.17
    n-hexane 101.89
    ethylene glycol 876.71
    NMP 653.48
    cyclohexane 276.24
    DMSO 887.07
    n-butyl acetate 270.62
    n-octanol 270.85
    chloroform 2447.35
    n-propyl acetate 324.1
    acetic acid 2688.58
    dichloromethane 2125.47
    cyclohexanone 670.71
    propylene glycol 671.26
    isopropyl acetate 241.03
    DMAc 816.41
    2-ethoxyethanol 1378.91
    isopentanol 924.95
    n-heptane 92.25
    ethyl formate 694.08
    1,2-dichloroethane 842.91
    n-hexanol 610.18
    2-methoxyethanol 2258.98
    isobutyl acetate 177.64
    tetrachloromethane 629.31
    n-pentyl acetate 172.69
    transcutol 980.32
    n-heptanol 282.33
    ethylbenzene 175.87
    MIBK 223.77
    2-propoxyethanol 765.91
    tert-butanol 1734.29
    MTBE 749.81
    2-butoxyethanol 450.51
    propionic acid 956.29
    o-xylene 220.05
    formic acid 2028.22
    diethyl ether 814.66
    m-xylene 192.24
    p-xylene 258.41
    chlorobenzene 388.36
    dimethyl carbonate 156.01
    n-octane 35.65
    formamide 1705.08
    cyclopentanone 564.28
    2-pentanone 425.52
    anisole 376.6
    cyclopentyl methyl ether 528.26
    gamma-butyrolactone 674.99
    1-methoxy-2-propanol 1024.8
    pyridine 1102.26
    3-pentanone 280.04
    furfural 857.4
    n-dodecane 25.24
    diethylene glycol 720.22
    diisopropyl ether 147.34
    tert-amyl alcohol 1241.94
    acetylacetone 285.65
    n-hexadecane 27.58
    acetophenone 282.2
    methyl propionate 368.7
    isopentyl acetate 224.67
    trichloroethylene 1498.85
    n-nonanol 222.85
    cyclohexanol 982.34
    benzyl alcohol 473.57
    2-ethylhexanol 301.24
    isooctanol 209.62
    dipropyl ether 306.12
    1,2-dichlorobenzene 306.93
    ethyl lactate 185.73
    propylene carbonate 391.35
    n-methylformamide 1102.97
    2-pentanol 715.25
    n-pentane 164.11
    1-propoxy-2-propanol 436.5
    1-methoxy-2-propyl acetate 196.38
    2-(2-methoxypropoxy) propanol 275.49
    mesitylene 114.49
    ε-caprolactone 583.86
    p-cymene 107.27
    epichlorohydrin 980.54
    1,1,1-trichloroethane 939.98
    2-aminoethanol 1369.73
    morpholine-4-carbaldehyde 1000.0
    sulfolane 520.7
    2,2,4-trimethylpentane 68.97
    2-methyltetrahydrofuran 1154.02
    n-hexyl acetate 246.44
    isooctane 40.17
    2-(2-butoxyethoxy)ethanol 395.23
    sec-butyl acetate 188.59
    tert-butyl acetate 226.13
    decalin 75.48
    glycerin 875.01
    diglyme 775.66
    acrylic acid 831.52
    isopropyl myristate 92.64
    n-butyric acid 1027.07
    acetyl acetate 309.13
    di(2-ethylhexyl) phthalate 109.84
    ethyl propionate 258.74
    nitromethane 1843.53
    1,2-diethoxyethane 382.53
    benzonitrile 498.8
    trioctyl phosphate 82.65
    1-bromopropane 656.54
    gamma-valerolactone 932.33
    n-decanol 154.38
    triethyl phosphate 122.12
    4-methyl-2-pentanol 307.08
    propionitrile 853.4
    vinylene carbonate 445.64
    1,1,2-trichlorotrifluoroethane 974.41
    DMS 137.51
    cumene 122.24
    2-octanol 183.13
    2-hexanone 336.86
    octyl acetate 132.29
    limonene 179.52
    1,2-dimethoxyethane 1502.81
    ethyl orthosilicate 135.46
    tributyl phosphate 89.51
    diacetone alcohol 347.61
    N,N-dimethylaniline 254.28
    acrylonitrile 932.8
    aniline 602.71
    1,3-propanediol 1657.95
    bromobenzene 351.31
    dibromomethane 1319.93
    1,1,2,2-tetrachloroethane 1126.78
    2-methyl-cyclohexyl acetate 177.71
    tetrabutyl urea 117.76
    diisobutyl methanol 158.77
    2-phenylethanol 304.66
    styrene 239.05
    dioctyl adipate 140.25
    dimethyl sulfate 185.48
    ethyl butyrate 249.38
    methyl lactate 225.99
    butyl lactate 144.64
    diethyl carbonate 186.03
    propanediol butyl ether 306.42
    triethyl orthoformate 193.21
    p-tert-butyltoluene 105.89
    methyl 4-tert-butylbenzoate 192.43
    morpholine 2297.36
    tert-butylamine 1148.97
    n-dodecanol 117.36
    dimethoxymethane 670.79
    ethylene carbonate 362.76
    cyrene 280.13
    2-ethoxyethyl acetate 205.87
    2-ethylhexyl acetate 171.05
    1,2,4-trichlorobenzene 367.03
    4-methylpyridine 856.17
    dibutyl ether 218.19
    2,6-dimethyl-4-heptanol 158.77
    DEF 585.3
    dimethyl isosorbide 313.19
    tetrachloroethylene 938.29
    eugenol 235.87
    triacetin 190.86
    span 80 257.2
    1,4-butanediol 716.45
    1,1-dichloroethane 1025.3
    2-methyl-1-pentanol 696.53
    methyl formate 723.35
    2-methyl-1-butanol 918.15
    n-decane 45.63
    butyronitrile 1013.06
    3,7-dimethyl-1-octanol 228.34
    1-chlorooctane 141.97
    1-chlorotetradecane 55.97
    n-nonane 46.65
    undecane 31.42
    tert-butylcyclohexane 69.07
    cyclooctane 67.24
    cyclopentanol 959.23
    tetrahydropyran 1432.64
    tert-amyl methyl ether 502.45
    2,5,8-trioxanonane 478.58
    1-hexene 306.31
    2-isopropoxyethanol 672.84
    2,2,2-trifluoroethanol 805.51
    methyl butyrate 409.11

    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