Ethyl (p-tolyloxy)acetate

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  • Identifiers

    CAS number
    67028-40-4

    Molecular formula
    C11H14O3

    SMILES
    CCOC(=O)COC1=CC=C(C=C1)C

  • Odor profile

    Fruity 73.66%
    Floral 56.47%
    Honey 42.34%
    Animal 34.04%
    Green 32.64%
    Sweet 31.98%
    Powdery 29.29%
    Rose 28.75%
    Berry 27.73%
    Nutty 27.04%

    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

    • 120.00 to 121.00 °C. @ 1.00 mm Hg

    Flash point est.
    117.48 ˚C

    Solubility expt.

    • Insoluble in water and oil
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Ethyl (4-methylphenoxy)acetate
    • 67028-40-4
    • Ethyl (p-tolyloxy)acetate
    • ethyl 2-(4-methylphenoxy)acetate
    • Ethyl p-cresoxyacetate
    • cherry oxyacetate
    • ethyl 4-methylphenoxyacetate
    • Ethyl P-tolyloxyacetate
    • (4-Methylphenoxy) acetic acid ethyl ester
    • FEMA No. 3157
    • Acetic acid, p-tolyloxy-, ethyl ester
    • Acetic acid, (4-methylphenoxy)-, ethyl ester
    • Acetic acid, 2-(4-methylphenoxy)-, ethyl ester
    • EINECS 266-554-2
    • B0Y0J494AJ
    • (4-methylphenoxy)acetic acid ethyl ester
    • DTXSID8047428
    • AI3-11229
    • p-Tolyloxyacetic acid ethyl ester
    • ETHYL 2-(P-TOLYLOXY)ACETATE
    • DTXCID6027428
    • ETHYL (P-TOLYLOXY)ACETATE [FHFI]
    • UNII-B0Y0J494AJ
    • MFCD00209535
    • Ethyl(4-methyl phenoxy)acetate
    • SCHEMBL1107148
    • CHEMBL3186260
    • FEMA 3157
    • CHEBI:168029
    • p-Tolyloxy-acetic acid ethyl ester
    • ETHYL2-(P-TOLYLOXY)ACETATE
    • Tox21_302634
    • STK443755
    • AKOS003329236
    • AB04789
    • NCGC00256880-01
    • AS-60221
    • CAS-67028-40-4
    • DB-095986
    • CS-0315685
    • E1015
    • NS00022646
    • D78583
    • Q27274230

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 697.08
    methanol 1135.53
    isopropanol 321.56
    water 1.74
    ethyl acetate 591.98
    n-propanol 388.57
    acetone 357.27
    n-butanol 304.84
    acetonitrile 473.02
    DMF 515.29
    toluene 140.63
    isobutanol 185.46
    1,4-dioxane 1055.62
    methyl acetate 394.56
    THF 489.11
    2-butanone 248.98
    n-pentanol 187.87
    sec-butanol 215.1
    n-hexane 6.87
    ethylene glycol 224.05
    NMP 177.81
    cyclohexane 22.66
    DMSO 738.49
    n-butyl acetate 184.32
    n-octanol 43.0
    chloroform 779.49
    n-propyl acetate 159.9
    acetic acid 671.16
    dichloromethane 877.38
    cyclohexanone 258.61
    propylene glycol 205.28
    isopropyl acetate 199.59
    DMAc 481.25
    2-ethoxyethanol 594.29
    isopentanol 217.36
    n-heptane 6.01
    ethyl formate 227.92
    1,2-dichloroethane 640.46
    n-hexanol 144.35
    2-methoxyethanol 1115.74
    isobutyl acetate 91.9
    tetrachloromethane 54.36
    n-pentyl acetate 62.14
    transcutol 1184.39
    n-heptanol 44.73
    ethylbenzene 65.06
    MIBK 111.72
    2-propoxyethanol 349.85
    tert-butanol 477.52
    MTBE 261.55
    2-butoxyethanol 132.7
    propionic acid 285.3
    o-xylene 79.41
    formic acid 383.88
    diethyl ether 360.91
    m-xylene 73.85
    p-xylene 79.51
    chlorobenzene 191.48
    dimethyl carbonate 136.38
    n-octane 3.14
    formamide 650.58
    cyclopentanone 213.21
    2-pentanone 190.32
    anisole 215.23
    cyclopentyl methyl ether 163.33
    gamma-butyrolactone 320.86
    1-methoxy-2-propanol 499.93
    pyridine 480.53
    3-pentanone 153.14
    furfural 427.82
    n-dodecane 4.17
    diethylene glycol 434.03
    diisopropyl ether 53.73
    tert-amyl alcohol 269.68
    acetylacetone 327.3
    n-hexadecane 4.7
    acetophenone 154.86
    methyl propionate 289.13
    isopentyl acetate 152.64
    trichloroethylene 940.84
    n-nonanol 41.27
    cyclohexanol 198.14
    benzyl alcohol 192.18
    2-ethylhexanol 68.95
    isooctanol 36.82
    dipropyl ether 80.32
    1,2-dichlorobenzene 168.37
    ethyl lactate 87.46
    propylene carbonate 190.03
    n-methylformamide 313.0
    2-pentanol 143.3
    n-pentane 7.48
    1-propoxy-2-propanol 176.86
    1-methoxy-2-propyl acetate 207.17
    2-(2-methoxypropoxy) propanol 188.88
    mesitylene 43.44
    ε-caprolactone 260.93
    p-cymene 35.59
    epichlorohydrin 643.13
    1,1,1-trichloroethane 341.84
    2-aminoethanol 363.98
    morpholine-4-carbaldehyde 489.91
    sulfolane 329.86
    2,2,4-trimethylpentane 7.49
    2-methyltetrahydrofuran 311.67
    n-hexyl acetate 96.75
    isooctane 5.53
    2-(2-butoxyethoxy)ethanol 259.05
    sec-butyl acetate 108.82
    tert-butyl acetate 191.27
    decalin 13.11
    glycerin 309.79
    diglyme 538.24
    acrylic acid 250.24
    isopropyl myristate 44.75
    n-butyric acid 366.58
    acetyl acetate 311.54
    di(2-ethylhexyl) phthalate 54.78
    ethyl propionate 160.24
    nitromethane 953.91
    1,2-diethoxyethane 313.85
    benzonitrile 169.87
    trioctyl phosphate 31.77
    1-bromopropane 220.26
    gamma-valerolactone 462.36
    n-decanol 32.94
    triethyl phosphate 71.53
    4-methyl-2-pentanol 69.41
    propionitrile 266.73
    vinylene carbonate 204.99
    1,1,2-trichlorotrifluoroethane 420.91
    DMS 154.95
    cumene 40.53
    2-octanol 28.27
    2-hexanone 120.26
    octyl acetate 54.07
    limonene 49.25
    1,2-dimethoxyethane 703.16
    ethyl orthosilicate 69.93
    tributyl phosphate 51.36
    diacetone alcohol 222.83
    N,N-dimethylaniline 110.43
    acrylonitrile 330.09
    aniline 223.88
    1,3-propanediol 526.78
    bromobenzene 192.49
    dibromomethane 494.09
    1,1,2,2-tetrachloroethane 737.87
    2-methyl-cyclohexyl acetate 94.46
    tetrabutyl urea 63.88
    diisobutyl methanol 45.49
    2-phenylethanol 147.25
    styrene 95.4
    dioctyl adipate 81.99
    dimethyl sulfate 170.19
    ethyl butyrate 125.26
    methyl lactate 149.11
    butyl lactate 64.72
    diethyl carbonate 113.95
    propanediol butyl ether 116.54
    triethyl orthoformate 98.05
    p-tert-butyltoluene 35.44
    methyl 4-tert-butylbenzoate 107.69
    morpholine 1031.35
    tert-butylamine 211.97
    n-dodecanol 27.58
    dimethoxymethane 475.2
    ethylene carbonate 184.71
    cyrene 136.87
    2-ethoxyethyl acetate 157.57
    2-ethylhexyl acetate 112.09
    1,2,4-trichlorobenzene 195.83
    4-methylpyridine 319.49
    dibutyl ether 70.97
    2,6-dimethyl-4-heptanol 45.49
    DEF 252.87
    dimethyl isosorbide 274.59
    tetrachloroethylene 423.77
    eugenol 124.76
    triacetin 135.09
    span 80 117.68
    1,4-butanediol 169.36
    1,1-dichloroethane 422.41
    2-methyl-1-pentanol 149.81
    methyl formate 248.89
    2-methyl-1-butanol 170.26
    n-decane 5.58
    butyronitrile 230.32
    3,7-dimethyl-1-octanol 56.13
    1-chlorooctane 29.39
    1-chlorotetradecane 14.51
    n-nonane 4.69
    undecane 4.66
    tert-butylcyclohexane 11.51
    cyclooctane 5.91
    cyclopentanol 145.04
    tetrahydropyran 512.78
    tert-amyl methyl ether 152.32
    2,5,8-trioxanonane 412.59
    1-hexene 45.0
    2-isopropoxyethanol 276.28
    2,2,2-trifluoroethanol 179.24
    methyl butyrate 198.28

    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