4-Methoxyphenyl 2-methylpropanoate

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  • Identifiers

    CAS number
    134022-45-0

    Molecular formula
    C11H14O3

    SMILES
    CC(C)C(=O)OC1=CC=C(C=C1)OC

  • Odor profile

    Fruity 88.64%
    Sweet 52.33%
    Berry 40.17%
    Floral 34.61%
    Phenolic 32.39%
    Vanilla 31.58%
    Nutty 30.88%
    Caramellic 29.71%
    Strawberry 29.56%
    Animal 29.17%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point est.
    107.42 ˚C

  • Synonyms

    • 4-methoxyphenyl 2-methylpropanoate
    • 4-methoxyphenyl isobutyrate
    • 134022-45-0
    • (4-methoxyphenyl) 2-methylpropanoate
    • 2-Methylpropionic acid, 4-methoxyphenyl ester
    • F3095-2782
    • SCHEMBL12616903
    • WKQWJJFHPKIPDM-UHFFFAOYSA-N
    • AKOS002346134
    • 2-methyl-propionic acid (4-methoxyphenyl) ester
    • AN-652/13567030

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 538.2
    methanol 569.09
    isopropanol 456.93
    water 0.95
    ethyl acetate 1574.75
    n-propanol 381.13
    acetone 1173.64
    n-butanol 395.04
    acetonitrile 1374.85
    DMF 875.51
    toluene 438.94
    isobutanol 326.94
    1,4-dioxane 1457.03
    methyl acetate 1482.94
    THF 1155.35
    2-butanone 1069.49
    n-pentanol 388.97
    sec-butanol 482.3
    n-hexane 57.36
    ethylene glycol 96.12
    NMP 489.53
    cyclohexane 73.66
    DMSO 849.21
    n-butyl acetate 816.94
    n-octanol 200.31
    chloroform 2520.4
    n-propyl acetate 848.63
    acetic acid 805.75
    dichloromethane 2507.74
    cyclohexanone 829.63
    propylene glycol 134.58
    isopropyl acetate 682.86
    DMAc 1036.2
    2-ethoxyethanol 861.41
    isopentanol 422.84
    n-heptane 31.48
    ethyl formate 764.74
    1,2-dichloroethane 1401.72
    n-hexanol 313.32
    2-methoxyethanol 893.43
    isobutyl acetate 428.2
    tetrachloromethane 302.48
    n-pentyl acetate 332.0
    transcutol 1479.8
    n-heptanol 167.05
    ethylbenzene 324.48
    MIBK 431.66
    2-propoxyethanol 566.61
    tert-butanol 950.88
    MTBE 1069.96
    2-butoxyethanol 340.18
    propionic acid 490.75
    o-xylene 315.75
    formic acid 246.59
    diethyl ether 852.04
    m-xylene 274.26
    p-xylene 451.67
    chlorobenzene 560.89
    dimethyl carbonate 382.73
    n-octane 24.48
    formamide 531.97
    cyclopentanone 847.24
    2-pentanone 748.09
    anisole 687.83
    cyclopentyl methyl ether 477.9
    gamma-butyrolactone 1118.59
    1-methoxy-2-propanol 577.29
    pyridine 1003.27
    3-pentanone 634.68
    furfural 1073.56
    n-dodecane 24.69
    diethylene glycol 384.44
    diisopropyl ether 223.89
    tert-amyl alcohol 861.42
    acetylacetone 996.75
    n-hexadecane 28.11
    acetophenone 609.14
    methyl propionate 815.42
    isopentyl acetate 611.51
    trichloroethylene 2523.99
    n-nonanol 178.44
    cyclohexanol 372.6
    benzyl alcohol 458.04
    2-ethylhexanol 227.52
    isooctanol 152.55
    dipropyl ether 276.42
    1,2-dichlorobenzene 521.5
    ethyl lactate 256.8
    propylene carbonate 740.48
    n-methylformamide 528.15
    2-pentanol 331.83
    n-pentane 35.66
    1-propoxy-2-propanol 391.86
    1-methoxy-2-propyl acetate 523.05
    2-(2-methoxypropoxy) propanol 365.34
    mesitylene 172.91
    ε-caprolactone 816.31
    p-cymene 139.05
    epichlorohydrin 1395.22
    1,1,1-trichloroethane 1354.15
    2-aminoethanol 205.54
    morpholine-4-carbaldehyde 935.99
    sulfolane 831.93
    2,2,4-trimethylpentane 46.77
    2-methyltetrahydrofuran 947.47
    n-hexyl acetate 474.37
    isooctane 27.93
    2-(2-butoxyethoxy)ethanol 485.17
    sec-butyl acetate 544.48
    tert-butyl acetate 652.25
    decalin 69.16
    glycerin 199.96
    diglyme 979.05
    acrylic acid 407.07
    isopropyl myristate 180.38
    n-butyric acid 702.73
    acetyl acetate 918.6
    di(2-ethylhexyl) phthalate 152.84
    ethyl propionate 668.7
    nitromethane 1659.06
    1,2-diethoxyethane 696.61
    benzonitrile 614.67
    trioctyl phosphate 111.38
    1-bromopropane 666.89
    gamma-valerolactone 1108.98
    n-decanol 132.85
    triethyl phosphate 221.86
    4-methyl-2-pentanol 205.88
    propionitrile 762.77
    vinylene carbonate 737.33
    1,1,2-trichlorotrifluoroethane 803.8
    DMS 478.72
    cumene 206.09
    2-octanol 145.47
    2-hexanone 627.61
    octyl acetate 229.02
    limonene 177.21
    1,2-dimethoxyethane 1388.59
    ethyl orthosilicate 207.41
    tributyl phosphate 163.94
    diacetone alcohol 551.88
    N,N-dimethylaniline 406.45
    acrylonitrile 873.07
    aniline 437.14
    1,3-propanediol 384.3
    bromobenzene 655.21
    dibromomethane 1527.97
    1,1,2,2-tetrachloroethane 1856.9
    2-methyl-cyclohexyl acetate 308.43
    tetrabutyl urea 179.28
    diisobutyl methanol 138.1
    2-phenylethanol 351.37
    styrene 410.4
    dioctyl adipate 249.38
    dimethyl sulfate 480.01
    ethyl butyrate 533.45
    methyl lactate 253.15
    butyl lactate 226.13
    diethyl carbonate 408.8
    propanediol butyl ether 283.81
    triethyl orthoformate 306.63
    p-tert-butyltoluene 136.65
    methyl 4-tert-butylbenzoate 339.6
    morpholine 1268.97
    tert-butylamine 520.54
    n-dodecanol 106.48
    dimethoxymethane 762.14
    ethylene carbonate 630.91
    cyrene 320.86
    2-ethoxyethyl acetate 512.98
    2-ethylhexyl acetate 460.9
    1,2,4-trichlorobenzene 609.96
    4-methylpyridine 1005.53
    dibutyl ether 312.76
    2,6-dimethyl-4-heptanol 138.1
    DEF 772.9
    dimethyl isosorbide 530.55
    tetrachloroethylene 1123.04
    eugenol 336.21
    triacetin 436.55
    span 80 261.43
    1,4-butanediol 202.27
    1,1-dichloroethane 1412.19
    2-methyl-1-pentanol 426.71
    methyl formate 529.32
    2-methyl-1-butanol 388.64
    n-decane 38.63
    butyronitrile 728.37
    3,7-dimethyl-1-octanol 209.68
    1-chlorooctane 160.93
    1-chlorotetradecane 71.95
    n-nonane 36.77
    undecane 29.67
    tert-butylcyclohexane 67.02
    cyclooctane 26.12
    cyclopentanol 312.59
    tetrahydropyran 937.41
    tert-amyl methyl ether 727.11
    2,5,8-trioxanonane 635.31
    1-hexene 251.19
    2-isopropoxyethanol 584.18
    2,2,2-trifluoroethanol 325.28
    methyl butyrate 913.25

    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