Methyl 2-methyl-2-phenylpropanoate

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  • Identifiers

    CAS number
    57625-74-8

    Molecular formula
    C11H14O2

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

  • Odor profile

    Fragrance
    Floral 82.43%
    Fruity 61.31%
    Green 46.58%
    Sweet 43.89%
    Rose 40.68%
    Honey 39.76%
    Herbal 38.53%
    Fresh 34.36%
    Spicy 33.7%
    Powdery 33.56%

     

    Flavor
    Fruity 60.36%
    Green 54.68%
    Floral 52.83%
    Tropical 35.86%
    Rose 34.43%
    Herbal 32.88%
    Sweet 31.43%
    Bitter 30.79%
    Citrus 26.86%
    Leaf 25.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.65 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 97.69 ˚C est.

  • Synonyms

    • methyl 2-methyl-2-phenylpropanoate
    • 57625-74-8
    • METHYL 2,2-DIMETHYLPHENYLACETATE
    • methyl 2-(2,3-dimethylphenyl)acetate
    • methyl 2-methyl-2-phenyl-propanoate
    • MFCD01846451
    • Benzeneacetic acid, alpha,alpha-dimethyl-, methyl ester
    • methyl phenylisobutyrate
    • 2-Methyl-2-phenylpropanoic acid methyl ester
    • 2-methyl-2-phenyl-propionic acid methyl ester
    • EC 805-721-1
    • SCHEMBL728471
    • DTXSID60206288
    • methyl2-methyl-2-phenylpropanoate
    • methyl 2-methyl-2-phenylpropionate
    • methyl-2-methyl-2-phenylpropanoate
    • BCP25294
    • Methyl 2,2-dimethyl-2-phenylacetate
    • Methyl-2-methyl-2 phenyl-propanoate
    • AKOS004908111
    • CS-W007095
    • 2-methyl-2-phenyl propanoic methyl ester
    • AC-15244
    • DS-14572
    • SY002717
    • NS00007889
    • EN300-247059
    • alpha,alpha-dimethyl-phenylacetic acid methyl ester
    • Benzeneacetic acid, .alpha.,.alpha.-dimethyl-, methyl ester
    • 805-721-1

  • Applications

    Methyl 2-methyl-2-phenylpropanoate is primarily used as an intermediate in organic synthesis and as a fragrance component in perfumery. It can serve as a building block for the synthesis of other aroma compounds and specialty esters, and may function as a solvent or processing aid in coatings, inks, and industrial formulations. In cosmetics and personal care, it is employed as a fragrance ingredient or compatible solvent. It may also appear in household products and cleaners as a fragrance contributor or solvent, depending on formulation. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1182.11
    methanol 1674.39
    isopropanol 960.21
    water 12.92
    ethyl acetate 1176.45
    n-propanol 1033.42
    acetone 1152.31
    n-butanol 894.93
    acetonitrile 1694.26
    DMF 1512.93
    toluene 627.18
    isobutanol 803.28
    1,4-dioxane 2202.23
    methyl acetate 1090.04
    THF 1526.28
    2-butanone 942.3
    n-pentanol 577.22
    sec-butanol 781.15
    n-hexane 106.53
    ethylene glycol 240.79
    NMP 831.88
    cyclohexane 188.26
    DMSO 594.71
    n-butyl acetate 568.21
    n-octanol 332.35
    chloroform 3603.99
    n-propyl acetate 587.03
    acetic acid 895.22
    dichloromethane 3148.56
    cyclohexanone 1231.96
    propylene glycol 230.23
    isopropyl acetate 593.57
    DMAc 836.12
    2-ethoxyethanol 872.62
    isopentanol 744.43
    n-heptane 71.99
    ethyl formate 989.54
    1,2-dichloroethane 1781.71
    n-hexanol 575.72
    2-methoxyethanol 1327.44
    isobutyl acetate 358.27
    tetrachloromethane 664.54
    n-pentyl acetate 377.43
    transcutol 1239.45
    n-heptanol 345.61
    ethylbenzene 386.16
    MIBK 515.87
    2-propoxyethanol 732.84
    tert-butanol 1205.96
    MTBE 978.23
    2-butoxyethanol 510.35
    propionic acid 687.88
    o-xylene 395.21
    formic acid 495.19
    diethyl ether 1266.78
    m-xylene 423.04
    p-xylene 477.1
    chlorobenzene 809.71
    dimethyl carbonate 439.43
    n-octane 44.15
    formamide 948.11
    cyclopentanone 1249.51
    2-pentanone 841.75
    anisole 768.0
    cyclopentyl methyl ether 737.24
    gamma-butyrolactone 1409.35
    1-methoxy-2-propanol 811.98
    pyridine 1263.48
    3-pentanone 679.16
    furfural 1206.18
    n-dodecane 32.72
    diethylene glycol 541.3
    diisopropyl ether 312.91
    tert-amyl alcohol 909.61
    acetylacetone 747.16
    n-hexadecane 37.77
    acetophenone 582.75
    methyl propionate 792.92
    isopentyl acetate 458.06
    trichloroethylene 3108.58
    n-nonanol 276.58
    cyclohexanol 686.57
    benzyl alcohol 544.43
    2-ethylhexanol 298.27
    isooctanol 267.83
    dipropyl ether 388.59
    1,2-dichlorobenzene 744.03
    ethyl lactate 254.96
    propylene carbonate 811.39
    n-methylformamide 1134.58
    2-pentanol 580.13
    n-pentane 114.22
    1-propoxy-2-propanol 432.96
    1-methoxy-2-propyl acetate 446.13
    2-(2-methoxypropoxy) propanol 323.39
    mesitylene 269.35
    ε-caprolactone 967.12
    p-cymene 184.12
    epichlorohydrin 1744.92
    1,1,1-trichloroethane 1745.14
    2-aminoethanol 515.88
    morpholine-4-carbaldehyde 1146.09
    sulfolane 1020.15
    2,2,4-trimethylpentane 70.49
    2-methyltetrahydrofuran 1063.57
    n-hexyl acetate 538.46
    isooctane 56.17
    2-(2-butoxyethoxy)ethanol 460.11
    sec-butyl acetate 392.15
    tert-butyl acetate 593.97
    decalin 95.91
    glycerin 308.69
    diglyme 966.24
    acrylic acid 580.91
    isopropyl myristate 191.79
    n-butyric acid 964.34
    acetyl acetate 599.38
    di(2-ethylhexyl) phthalate 162.46
    ethyl propionate 525.84
    nitromethane 1629.26
    1,2-diethoxyethane 575.35
    benzonitrile 705.92
    trioctyl phosphate 128.93
    1-bromopropane 929.44
    gamma-valerolactone 1464.94
    n-decanol 189.1
    triethyl phosphate 196.73
    4-methyl-2-pentanol 308.99
    propionitrile 1217.46
    vinylene carbonate 893.36
    1,1,2-trichlorotrifluoroethane 910.09
    DMS 399.88
    cumene 265.5
    2-octanol 243.91
    2-hexanone 540.91
    octyl acetate 246.06
    limonene 232.11
    1,2-dimethoxyethane 1290.74
    ethyl orthosilicate 201.32
    tributyl phosphate 147.57
    diacetone alcohol 561.23
    N,N-dimethylaniline 483.45
    acrylonitrile 1309.82
    aniline 687.55
    1,3-propanediol 787.38
    bromobenzene 857.1
    dibromomethane 1909.06
    1,1,2,2-tetrachloroethane 2229.9
    2-methyl-cyclohexyl acetate 310.68
    tetrabutyl urea 188.0
    diisobutyl methanol 175.69
    2-phenylethanol 452.09
    styrene 489.61
    dioctyl adipate 229.08
    dimethyl sulfate 498.19
    ethyl butyrate 442.7
    methyl lactate 300.55
    butyl lactate 245.68
    diethyl carbonate 323.95
    propanediol butyl ether 354.71
    triethyl orthoformate 277.27
    p-tert-butyltoluene 188.2
    methyl 4-tert-butylbenzoate 407.64
    morpholine 1826.12
    tert-butylamine 826.08
    n-dodecanol 137.8
    dimethoxymethane 1150.17
    ethylene carbonate 796.13
    cyrene 361.17
    2-ethoxyethyl acetate 476.02
    2-ethylhexyl acetate 347.74
    1,2,4-trichlorobenzene 758.84
    4-methylpyridine 1182.04
    dibutyl ether 326.37
    2,6-dimethyl-4-heptanol 175.69
    DEF 883.83
    dimethyl isosorbide 545.72
    tetrachloroethylene 1638.55
    eugenol 382.86
    triacetin 362.74
    span 80 260.69
    1,4-butanediol 315.86
    1,1-dichloroethane 1863.05
    2-methyl-1-pentanol 521.15
    methyl formate 966.82
    2-methyl-1-butanol 714.19
    n-decane 59.14
    butyronitrile 1148.25
    3,7-dimethyl-1-octanol 243.97
    1-chlorooctane 245.14
    1-chlorotetradecane 87.08
    n-nonane 57.82
    undecane 41.95
    tert-butylcyclohexane 95.32
    cyclooctane 61.59
    cyclopentanol 625.1
    tetrahydropyran 1592.37
    tert-amyl methyl ether 652.05
    2,5,8-trioxanonane 565.01
    1-hexene 332.83
    2-isopropoxyethanol 558.81
    2,2,2-trifluoroethanol 450.07
    methyl butyrate 708.97

    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