Ethyl 2-methyl-2-phenylpropanoate

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  • Identifiers

    CAS number
    2901-13-5

    Molecular formula
    C12H16O2

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

  • Odor profile

    Floral 83.21%
    Fruity 75.42%
    Green 52.24%
    Sweet 50.61%
    Rose 44.61%
    Honey 40.92%
    Tropical 39.9%
    Herbal 35.48%
    Powdery 35.11%
    Spicy 34.12%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point est.
    105.94 ˚C

  • Synonyms

    • ethyl 2-methyl-2-phenylpropanoate
    • 2901-13-5
    • Ethyl Dimethylbenzeneacetate
    • Ethyl 2,2-dimethylphenylacetate
    • Ethyl Dimethylphenylacetate
    • MFCD03844687
    • Benzeneacetic acid, alpha,alpha-dimethyl-, ethyl ester
    • Ethyl 2-methyl-2-phenylpropionate
    • NSC29060
    • NSC 29060
    • phenyl ethyl isobutyrate
    • 2-methyl-2-phenyl-propionic acid ethyl ester
    • EC 608-307-7
    • alpha,alpha-Dimethyl-ethyl ester benzeneacetic acid
    • SCHEMBL395978
    • DTXSID90282994
    • OFYSAFPKXXTYLU-UHFFFAOYSA-N
    • Ethyl 2-phenyl-2-methylpropionate
    • NSC-29060
    • AKOS009166296
    • ethyl alpha,alpha-dimethylphenylacetate
    • AC-1049
    • SY002718
    • TS-00264
    • CS-0042637
    • NS00006436
    • 2-methyl-2-phenyl- propionic acid ethyl ester

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1512.28
    methanol 1879.73
    isopropanol 1345.54
    water 5.32
    ethyl acetate 1865.62
    n-propanol 1436.01
    acetone 2123.22
    n-butanol 1341.73
    acetonitrile 2387.92
    DMF 2989.05
    toluene 1047.54
    isobutanol 1247.19
    1,4-dioxane 2814.92
    methyl acetate 1728.28
    THF 2159.35
    2-butanone 1808.78
    n-pentanol 905.84
    sec-butanol 1243.99
    n-hexane 270.92
    ethylene glycol 226.7
    NMP 1708.22
    cyclohexane 436.57
    DMSO 1104.36
    n-butyl acetate 1203.25
    n-octanol 620.18
    chloroform 5842.61
    n-propyl acetate 1135.23
    acetic acid 1150.6
    dichloromethane 5174.54
    cyclohexanone 2526.65
    propylene glycol 266.27
    isopropyl acetate 1042.46
    DMAc 1844.73
    2-ethoxyethanol 1129.1
    isopentanol 1078.78
    n-heptane 128.52
    ethyl formate 1404.57
    1,2-dichloroethane 3236.05
    n-hexanol 928.66
    2-methoxyethanol 1591.0
    isobutyl acetate 697.28
    tetrachloromethane 963.15
    n-pentyl acetate 744.2
    transcutol 1755.71
    n-heptanol 539.77
    ethylbenzene 713.69
    MIBK 883.73
    2-propoxyethanol 1139.68
    tert-butanol 1607.97
    MTBE 1668.66
    2-butoxyethanol 731.67
    propionic acid 1001.55
    o-xylene 658.95
    formic acid 367.66
    diethyl ether 2018.31
    m-xylene 688.18
    p-xylene 870.89
    chlorobenzene 1516.12
    dimethyl carbonate 734.96
    n-octane 91.09
    formamide 737.05
    cyclopentanone 2248.07
    2-pentanone 1574.6
    anisole 1235.7
    cyclopentyl methyl ether 1250.74
    gamma-butyrolactone 2432.97
    1-methoxy-2-propanol 1045.91
    pyridine 2056.55
    3-pentanone 1279.74
    furfural 1872.05
    n-dodecane 69.95
    diethylene glycol 690.39
    diisopropyl ether 526.76
    tert-amyl alcohol 1314.1
    acetylacetone 1357.1
    n-hexadecane 81.75
    acetophenone 1012.91
    methyl propionate 1319.64
    isopentyl acetate 949.64
    trichloroethylene 5379.88
    n-nonanol 502.67
    cyclohexanol 1181.69
    benzyl alcohol 809.34
    2-ethylhexanol 539.26
    isooctanol 441.05
    dipropyl ether 667.12
    1,2-dichlorobenzene 1351.56
    ethyl lactate 419.48
    propylene carbonate 1431.49
    n-methylformamide 1563.02
    2-pentanol 933.49
    n-pentane 223.39
    1-propoxy-2-propanol 728.62
    1-methoxy-2-propyl acetate 787.96
    2-(2-methoxypropoxy) propanol 494.81
    mesitylene 452.45
    ε-caprolactone 1860.42
    p-cymene 307.83
    epichlorohydrin 2777.84
    1,1,1-trichloroethane 2815.88
    2-aminoethanol 540.29
    morpholine-4-carbaldehyde 1890.27
    sulfolane 1841.06
    2,2,4-trimethylpentane 125.36
    2-methyltetrahydrofuran 1770.62
    n-hexyl acetate 1092.2
    isooctane 92.19
    2-(2-butoxyethoxy)ethanol 698.02
    sec-butyl acetate 737.98
    tert-butyl acetate 981.9
    decalin 205.55
    glycerin 348.58
    diglyme 1420.31
    acrylic acid 827.88
    isopropyl myristate 359.86
    n-butyric acid 1490.87
    acetyl acetate 1029.24
    di(2-ethylhexyl) phthalate 282.85
    ethyl propionate 999.95
    nitromethane 2170.37
    1,2-diethoxyethane 977.29
    benzonitrile 1234.23
    trioctyl phosphate 228.5
    1-bromopropane 1717.37
    gamma-valerolactone 2489.61
    n-decanol 345.0
    triethyl phosphate 337.23
    4-methyl-2-pentanol 487.63
    propionitrile 1921.22
    vinylene carbonate 1555.35
    1,1,2-trichlorotrifluoroethane 1324.04
    DMS 766.43
    cumene 445.63
    2-octanol 433.18
    2-hexanone 1075.17
    octyl acetate 483.77
    limonene 428.36
    1,2-dimethoxyethane 1981.12
    ethyl orthosilicate 329.27
    tributyl phosphate 280.72
    diacetone alcohol 826.92
    N,N-dimethylaniline 780.81
    acrylonitrile 2042.96
    aniline 1003.26
    1,3-propanediol 877.59
    bromobenzene 1701.61
    dibromomethane 3259.22
    1,1,2,2-tetrachloroethane 3975.17
    2-methyl-cyclohexyl acetate 543.17
    tetrabutyl urea 350.29
    diisobutyl methanol 282.05
    2-phenylethanol 693.63
    styrene 899.58
    dioctyl adipate 420.8
    dimethyl sulfate 875.04
    ethyl butyrate 810.46
    methyl lactate 465.88
    butyl lactate 455.07
    diethyl carbonate 584.78
    propanediol butyl ether 539.1
    triethyl orthoformate 481.01
    p-tert-butyltoluene 310.48
    methyl 4-tert-butylbenzoate 665.28
    morpholine 2493.35
    tert-butylamine 1123.34
    n-dodecanol 250.99
    dimethoxymethane 1708.66
    ethylene carbonate 1388.72
    cyrene 531.45
    2-ethoxyethyl acetate 812.81
    2-ethylhexyl acetate 737.98
    1,2,4-trichlorobenzene 1391.18
    4-methylpyridine 2121.81
    dibutyl ether 666.72
    2,6-dimethyl-4-heptanol 282.05
    DEF 1730.45
    dimethyl isosorbide 833.9
    tetrachloroethylene 2709.07
    eugenol 596.91
    triacetin 665.64
    span 80 441.54
    1,4-butanediol 391.24
    1,1-dichloroethane 3298.91
    2-methyl-1-pentanol 846.7
    methyl formate 1295.88
    2-methyl-1-butanol 1127.08
    n-decane 120.17
    butyronitrile 1901.97
    3,7-dimethyl-1-octanol 438.64
    1-chlorooctane 503.64
    1-chlorotetradecane 186.43
    n-nonane 121.4
    undecane 88.51
    tert-butylcyclohexane 187.62
    cyclooctane 131.16
    cyclopentanol 1068.82
    tetrahydropyran 2453.69
    tert-amyl methyl ether 1122.02
    2,5,8-trioxanonane 825.78
    1-hexene 798.24
    2-isopropoxyethanol 782.74
    2,2,2-trifluoroethanol 473.3
    methyl butyrate 1367.41

    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

Botanical

Name CAS Botanical Proportion
Michelia champaca flower headspace (China) Michelia champaca L., fam. Magnoliaceae 0.81%