Methyl 4-methoxybutanoate

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  • Identifiers

    CAS number
    29006-01-7

    Molecular formula
    C6H12O3

    SMILES
    COCCCC(=O)OC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 92.72%
    Ethereal 72.97%
    Sweet 68.46%
    Winey 48.53%
    Rummy 48.51%
    Apple 40.57%
    Pineapple 40.33%
    Fermented 37.96%
    Caramellic 35.8%
    Solvent 34.24%

     

    Flavor
    Fruity 80.27%
    Sweet 77.1%
    Pineapple 58.17%
    Green 46.77%
    Fruit 44.16%
    Bitter 43.29%
    Apple 43.01%
    Ether 42.76%
    Banana 40.57%
    Rum 35.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.56 (neutral)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 51.68 ˚C est.

  • Synonyms

    • Methyl 4-methoxybutanoate
    • 29006-01-7
    • Methyl 4-methoxybutyrate
    • Butanoic acid, 4-methoxy-, methyl ester
    • Butyric acid, 4-methoxy-, methyl ester
    • DTXSID00337383
    • methyl-4-methoxybutanoate
    • RefChem:157629
    • Methyl 4-methoxybutanoic acid
    • DTXCID90288471
    • 608-306-1
    • VHDGWXQBVWAMJA-UHFFFAOYSA-N
    • MFCD00274316
    • Methyl4-methoxybutanoate
    • SCHEMBL907647
    • Methyl 4-methoxybutyrate, 98%
    • 4-methoxy-butyric acid methyl ester
    • ALBB-022325
    • AKOS009156523
    • CS-W011093
    • DS-9514
    • FM130354
    • SY096667
    • DB-068049
    • F14920
    • F372895
    • 29006-01-7

  • Applications

    Methyl 4-methoxybutanoate (CAS 29006-01-7) is an ester used as a chemical synthesis intermediate and as a processing aid in industrial manufacturing; it can function as a solvent or co-solvent in formulations and as a building block for other organic compounds. In fragrance and cosmetics, it is considered a fragrance ingredient and can act as a fixative or contributor to fruity and anis-like notes. It may also be evaluated for use in flavor/aroma formulations and may appear in cleaning or personal care products depending on formulation and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2082.13
    methanol 3497.94
    isopropanol 1496.42
    water 206.69
    ethyl acetate 1218.51
    n-propanol 1319.74
    acetone 1794.88
    n-butanol 1087.63
    acetonitrile 2190.02
    DMF 2494.81
    toluene 358.07
    isobutanol 992.89
    1,4-dioxane 2041.74
    methyl acetate 1339.48
    THF 1846.44
    2-butanone 1076.78
    n-pentanol 586.16
    sec-butanol 1084.06
    n-hexane 55.61
    ethylene glycol 806.23
    NMP 2049.12
    cyclohexane 134.37
    DMSO 1849.93
    n-butyl acetate 302.59
    n-octanol 158.48
    chloroform 2661.95
    n-propyl acetate 440.99
    acetic acid 5662.38
    dichloromethane 2498.8
    cyclohexanone 1295.92
    propylene glycol 610.43
    isopropyl acetate 542.94
    DMAc 2137.86
    2-ethoxyethanol 1472.31
    isopentanol 769.29
    n-heptane 29.01
    ethyl formate 989.99
    1,2-dichloroethane 1294.51
    n-hexanol 295.16
    2-methoxyethanol 2654.7
    isobutyl acetate 242.09
    tetrachloromethane 572.29
    n-pentyl acetate 200.79
    transcutol 1661.8
    n-heptanol 144.0
    ethylbenzene 134.78
    MIBK 315.07
    2-propoxyethanol 701.39
    tert-butanol 1756.6
    MTBE 918.47
    2-butoxyethanol 392.64
    propionic acid 1709.15
    o-xylene 242.7
    formic acid 3158.26
    diethyl ether 939.97
    m-xylene 201.98
    p-xylene 221.12
    chlorobenzene 521.77
    dimethyl carbonate 351.42
    n-octane 13.28
    formamide 3405.48
    cyclopentanone 1378.43
    2-pentanone 647.28
    anisole 467.34
    cyclopentyl methyl ether 842.77
    gamma-butyrolactone 1883.82
    1-methoxy-2-propanol 1277.75
    pyridine 1538.7
    3-pentanone 527.91
    furfural 1884.83
    n-dodecane 11.7
    diethylene glycol 806.82
    diisopropyl ether 163.98
    tert-amyl alcohol 1257.92
    acetylacetone 767.36
    n-hexadecane 12.87
    acetophenone 417.23
    methyl propionate 802.9
    isopentyl acetate 256.1
    trichloroethylene 2687.03
    n-nonanol 138.95
    cyclohexanol 985.16
    benzyl alcohol 493.56
    2-ethylhexanol 164.98
    isooctanol 122.46
    dipropyl ether 183.39
    1,2-dichlorobenzene 450.22
    ethyl lactate 239.54
    propylene carbonate 856.62
    n-methylformamide 1847.89
    2-pentanol 592.29
    n-pentane 78.0
    1-propoxy-2-propanol 366.9
    1-methoxy-2-propyl acetate 316.44
    2-(2-methoxypropoxy) propanol 317.86
    mesitylene 106.88
    ε-caprolactone 1168.23
    p-cymene 79.28
    epichlorohydrin 1914.54
    1,1,1-trichloroethane 1437.04
    2-aminoethanol 1361.39
    morpholine-4-carbaldehyde 1986.46
    sulfolane 1545.0
    2,2,4-trimethylpentane 51.57
    2-methyltetrahydrofuran 1552.62
    n-hexyl acetate 285.01
    isooctane 22.82
    2-(2-butoxyethoxy)ethanol 422.45
    sec-butyl acetate 298.06
    tert-butyl acetate 480.89
    decalin 45.08
    glycerin 951.35
    diglyme 984.79
    acrylic acid 1650.45
    isopropyl myristate 96.79
    n-butyric acid 1803.06
    acetyl acetate 874.45
    di(2-ethylhexyl) phthalate 119.39
    ethyl propionate 414.37
    nitromethane 5372.95
    1,2-diethoxyethane 409.63
    benzonitrile 581.53
    trioctyl phosphate 69.3
    1-bromopropane 604.06
    gamma-valerolactone 2054.24
    n-decanol 89.61
    triethyl phosphate 152.2
    4-methyl-2-pentanol 252.37
    propionitrile 1041.39
    vinylene carbonate 866.68
    1,1,2-trichlorotrifluoroethane 1965.3
    DMS 286.38
    cumene 97.74
    2-octanol 98.52
    2-hexanone 350.17
    octyl acetate 127.88
    limonene 131.7
    1,2-dimethoxyethane 1488.88
    ethyl orthosilicate 154.15
    tributyl phosphate 101.87
    diacetone alcohol 574.88
    N,N-dimethylaniline 286.58
    acrylonitrile 1363.35
    aniline 828.56
    1,3-propanediol 1568.27
    bromobenzene 443.32
    dibromomethane 1328.52
    1,1,2,2-tetrachloroethane 1903.16
    2-methyl-cyclohexyl acetate 211.9
    tetrabutyl urea 134.02
    diisobutyl methanol 94.95
    2-phenylethanol 280.47
    styrene 205.43
    dioctyl adipate 168.2
    dimethyl sulfate 561.75
    ethyl butyrate 265.98
    methyl lactate 426.07
    butyl lactate 173.58
    diethyl carbonate 202.89
    propanediol butyl ether 321.55
    triethyl orthoformate 204.58
    p-tert-butyltoluene 76.65
    methyl 4-tert-butylbenzoate 280.88
    morpholine 2671.2
    tert-butylamine 1029.65
    n-dodecanol 64.87
    dimethoxymethane 996.2
    ethylene carbonate 690.94
    cyrene 395.65
    2-ethoxyethyl acetate 334.17
    2-ethylhexyl acetate 198.13
    1,2,4-trichlorobenzene 623.7
    4-methylpyridine 1280.85
    dibutyl ether 166.69
    2,6-dimethyl-4-heptanol 94.95
    DEF 1178.31
    dimethyl isosorbide 503.77
    tetrachloroethylene 1595.14
    eugenol 286.47
    triacetin 346.97
    span 80 262.85
    1,4-butanediol 521.79
    1,1-dichloroethane 1485.99
    2-methyl-1-pentanol 473.6
    methyl formate 1259.28
    2-methyl-1-butanol 825.28
    n-decane 20.64
    butyronitrile 900.55
    3,7-dimethyl-1-octanol 154.19
    1-chlorooctane 88.94
    1-chlorotetradecane 32.45
    n-nonane 19.83
    undecane 14.67
    tert-butylcyclohexane 41.19
    cyclooctane 29.83
    cyclopentanol 1097.17
    tetrahydropyran 1514.84
    tert-amyl methyl ether 644.34
    2,5,8-trioxanonane 577.88
    1-hexene 189.43
    2-isopropoxyethanol 745.25
    2,2,2-trifluoroethanol 1914.38
    methyl butyrate 607.63

    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