(4-Methoxyphenyl)methyl isobutyrate

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  • Identifiers

    CAS number
    71172-26-4

    Molecular formula
    C12H16O3

    SMILES
    CC(C)C(=O)OCC1=CC=C(C=C1)OC

  • Odor profile

    Fragrance
    Fruity 96.97%
    Sweet 83.44%
    Floral 74.5%
    Tropical 54.3%
    Berry 49.42%
    Cherry 46.0%
    Plum 41.16%
    Apricot 39.97%
    Powdery 38.01%
    Anisic 37.93%

     

    Flavor
    Fruity 90.6%
    Sweet 70.15%
    Floral 51.68%
    Berry 44.21%
    Tropical 40.91%
    Green 38.57%
    Apple 38.25%
    Grape 36.92%
    Pineapple 36.67%
    Jasmin 35.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.07 (neutral)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    275°C

    Flash point

    • 114.59 ˚C est.

  • Synonyms

    • p-Anisyl 2-methylpropanoate
    • p-Anisyl 2-methylpropionate
    • (4-Methoxyphenyl)methyl isobutyrate
    • 71172-26-4
    • Anisyl isobutyrate
    • 4-Methoxybenzyl isobutyrate
    • (4-methoxyphenyl)methyl 2-methylpropanoate
    • 4-Methoxybenzyl 2-methylpropanoate
    • UNII-MAJ48MQ1Y2
    • MAJ48MQ1Y2
    • P-METHOXYBENZYL ISOBUTYRATE
    • EINECS 275-227-3
    • Isobutyric acid p-methoxybenzyl ester
    • Propanoic acid, 2-methyl-, (4-methoxyphenyl)methyl ester
    • DTXSID90221363
    • Propanoic acid,2-methyl-, (4-methoxyphenyl)methyl ester
    • J183.039B
    • para-anisyl isobutyrate
    • SCHEMBL4456075
    • DTXCID90143854
    • MFCD00274371
    • 4-Methoxybenzyl 2-methylpropanoate #
    • NS00011989
    • F78488
    • Q27283758
    • 275-227-3

  • Applications

    Primarily used in fragrance chemistry, (4-Methoxyphenyl)methyl isobutyrate serves as an odorant and fragrance intermediate that contributes anisyl-type notes and acts as a building block for more complex aroma compounds. It is commonly employed as a fixative or slow-evaporating component to improve fragrance longevity in perfumery formulations. In cosmetics and personal care, it can function as a fragrance ingredient in products such as lotions and creams. In household products and cleaners, it provides a pleasant scent as a fragrance additive. In industrial manufacturing, it is used as an intermediate in synthetic routes toward aroma chemicals and related specialty esters. It may also be used in coatings and inks as a fragrance additive to impart subtle aroma to end products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 558.28
    methanol 793.55
    isopropanol 330.47
    water 2.23
    ethyl acetate 1021.26
    n-propanol 339.12
    acetone 348.8
    n-butanol 350.17
    acetonitrile 781.15
    DMF 244.61
    toluene 283.46
    isobutanol 221.73
    1,4-dioxane 1246.08
    methyl acetate 620.78
    THF 710.42
    2-butanone 397.63
    n-pentanol 319.29
    sec-butanol 314.73
    n-hexane 20.36
    ethylene glycol 79.62
    NMP 154.79
    cyclohexane 35.48
    DMSO 349.83
    n-butyl acetate 405.81
    n-octanol 85.95
    chloroform 1668.8
    n-propyl acetate 451.58
    acetic acid 737.81
    dichloromethane 1643.81
    cyclohexanone 393.16
    propylene glycol 107.49
    isopropyl acetate 382.59
    DMAc 393.44
    2-ethoxyethanol 744.54
    isopentanol 316.75
    n-heptane 12.88
    ethyl formate 441.34
    1,2-dichloroethane 763.48
    n-hexanol 204.99
    2-methoxyethanol 764.45
    isobutyl acetate 241.17
    tetrachloromethane 147.78
    n-pentyl acetate 156.36
    transcutol 1495.45
    n-heptanol 103.29
    ethylbenzene 163.66
    MIBK 216.55
    2-propoxyethanol 404.87
    tert-butanol 553.87
    MTBE 490.23
    2-butoxyethanol 241.96
    propionic acid 316.51
    o-xylene 166.86
    formic acid 343.75
    diethyl ether 617.53
    m-xylene 145.84
    p-xylene 226.65
    chlorobenzene 338.79
    dimethyl carbonate 159.17
    n-octane 7.92
    formamide 602.13
    cyclopentanone 303.9
    2-pentanone 329.07
    anisole 394.13
    cyclopentyl methyl ether 255.52
    gamma-butyrolactone 431.25
    1-methoxy-2-propanol 408.78
    pyridine 706.35
    3-pentanone 263.18
    furfural 582.19
    n-dodecane 7.15
    diethylene glycol 313.44
    diisopropyl ether 114.67
    tert-amyl alcohol 442.86
    acetylacetone 417.11
    n-hexadecane 8.19
    acetophenone 329.16
    methyl propionate 385.48
    isopentyl acetate 340.34
    trichloroethylene 1493.69
    n-nonanol 82.6
    cyclohexanol 244.05
    benzyl alcohol 321.82
    2-ethylhexanol 129.87
    isooctanol 90.25
    dipropyl ether 162.59
    1,2-dichlorobenzene 301.05
    ethyl lactate 144.29
    propylene carbonate 338.5
    n-methylformamide 256.29
    2-pentanol 232.77
    n-pentane 15.62
    1-propoxy-2-propanol 240.64
    1-methoxy-2-propyl acetate 325.98
    2-(2-methoxypropoxy) propanol 240.06
    mesitylene 84.86
    ε-caprolactone 418.28
    p-cymene 73.08
    epichlorohydrin 756.2
    1,1,1-trichloroethane 620.71
    2-aminoethanol 200.83
    morpholine-4-carbaldehyde 503.16
    sulfolane 301.32
    2,2,4-trimethylpentane 18.49
    2-methyltetrahydrofuran 506.47
    n-hexyl acetate 201.4
    isooctane 12.1
    2-(2-butoxyethoxy)ethanol 337.93
    sec-butyl acetate 302.16
    tert-butyl acetate 347.29
    decalin 27.09
    glycerin 152.24
    diglyme 753.93
    acrylic acid 270.07
    isopropyl myristate 76.81
    n-butyric acid 523.49
    acetyl acetate 508.4
    di(2-ethylhexyl) phthalate 85.57
    ethyl propionate 351.51
    nitromethane 1026.17
    1,2-diethoxyethane 514.04
    benzonitrile 352.4
    trioctyl phosphate 51.91
    1-bromopropane 354.92
    gamma-valerolactone 543.37
    n-decanol 59.79
    triethyl phosphate 130.0
    4-methyl-2-pentanol 132.31
    propionitrile 404.27
    vinylene carbonate 369.03
    1,1,2-trichlorotrifluoroethane 502.41
    DMS 207.6
    cumene 103.03
    2-octanol 64.83
    2-hexanone 302.25
    octyl acetate 95.83
    limonene 88.97
    1,2-dimethoxyethane 974.8
    ethyl orthosilicate 133.87
    tributyl phosphate 77.58
    diacetone alcohol 312.62
    N,N-dimethylaniline 213.69
    acrylonitrile 478.92
    aniline 315.7
    1,3-propanediol 363.17
    bromobenzene 354.29
    dibromomethane 930.72
    1,1,2,2-tetrachloroethane 1015.05
    2-methyl-cyclohexyl acetate 187.51
    tetrabutyl urea 84.9
    diisobutyl methanol 77.72
    2-phenylethanol 239.06
    styrene 230.35
    dioctyl adipate 130.02
    dimethyl sulfate 163.92
    ethyl butyrate 311.99
    methyl lactate 129.0
    butyl lactate 117.54
    diethyl carbonate 239.38
    propanediol butyl ether 172.56
    triethyl orthoformate 200.17
    p-tert-butyltoluene 69.36
    methyl 4-tert-butylbenzoate 187.33
    morpholine 1034.02
    tert-butylamine 297.93
    n-dodecanol 45.46
    dimethoxymethane 378.53
    ethylene carbonate 308.09
    cyrene 213.15
    2-ethoxyethyl acetate 298.24
    2-ethylhexyl acetate 255.16
    1,2,4-trichlorobenzene 336.99
    4-methylpyridine 556.98
    dibutyl ether 137.92
    2,6-dimethyl-4-heptanol 77.72
    DEF 345.38
    dimethyl isosorbide 350.79
    tetrachloroethylene 683.05
    eugenol 194.95
    triacetin 242.2
    span 80 168.8
    1,4-butanediol 175.1
    1,1-dichloroethane 704.81
    2-methyl-1-pentanol 307.6
    methyl formate 237.52
    2-methyl-1-butanol 273.03
    n-decane 12.36
    butyronitrile 440.71
    3,7-dimethyl-1-octanol 99.67
    1-chlorooctane 60.45
    1-chlorotetradecane 23.85
    n-nonane 11.19
    undecane 8.87
    tert-butylcyclohexane 25.96
    cyclooctane 12.2
    cyclopentanol 170.77
    tetrahydropyran 659.41
    tert-amyl methyl ether 308.95
    2,5,8-trioxanonane 474.06
    1-hexene 115.65
    2-isopropoxyethanol 435.33
    2,2,2-trifluoroethanol 234.3
    methyl butyrate 464.93

    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