Ethyl p-toluate

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  • Identifiers

    CAS number
    94-08-6

    Molecular formula
    C10H12O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 88.81%
    Fruity 86.57%
    Sweet 80.3%
    Cherry 59.84%
    Anisic 43.85%
    Powdery 41.84%
    Grape 40.37%
    Balsamic 39.35%
    Hawthorn 34.85%
    Berry 34.85%

     

    Flavor
    Sweet 72.2%
    Balsam 66.21%
    Fruity 64.49%
    Floral 60.7%
    Cherry 48.27%
    Powdery 44.39%
    Wintergreen 43.76%
    Anise 40.18%
    Strawberry 39.91%
    Bitter 38.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.78 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 95.11 ˚C est.

  • Synonyms

    • Ethyl 4-methylbenzoate
    • 94-08-6
    • Ethyl p-toluate
    • Benzoic acid, 4-methyl-, ethyl ester
    • XUF0SQ8L2J
    • DTXSID5048211
    • EINECS 202-301-4
    • NSC-24767
    • AI3-31106
    • DTXCID3028186
    • NSC 24767
    • Ethyl ptoluate
    • RefChem:596362
    • Benzoic acid, 4methyl, ethyl ester
    • 202-301-4
    • Ethyl p-methylbenzoate
    • p-Toluic acid ethyl ester
    • 4-Methylbenzoic Acid Ethyl Ester
    • MFCD00009117
    • 4-methyl-benzoic acid ethyl ester
    • Ethyl4-methylbenzoate
    • Ethyl 4-methylbenzoate; Ethyl p-methylbenzoate; Ethyl p-toluate; NSC 24767
    • UNII-XUF0SQ8L2J
    • Ethyl 4-toluate
    • ETHYL PARA TOLUATE
    • p-Toluic acid, ethyl ester
    • p-Toluylic acid, ethyl ester
    • SCHEMBL128431
    • SCHEMBL235800
    • Ethyl 4-methylbenzoate, 99%
    • orb3030338
    • SCHEMBL2233870
    • SCHEMBL2721321
    • SCHEMBL8742866
    • CHEMBL3186464
    • NWPWRAWAUYIELB-UHFFFAOYSA-
    • NSC24767
    • Tox21_303476
    • AC7906
    • SBB064875
    • AKOS005198691
    • CS-W020602
    • DS-4791
    • EBC-618247
    • FE71390
    • CAS-94-08-6
    • NCGC00257366-01
    • ST092712
    • SY013720
    • DB-057468
    • NS00012465
    • T0295
    • F242864
    • Q27294001
    • Z54848414
    • F0001-2259
    • InChI=1/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
    • 94-08-6

  • Applications

    Ethyl p-toluate (CAS 94-08-6) is used primarily as a fragrance ingredient in perfumery and cosmetics, contributing a fruity note and sometimes acting as a fixative in fragrance formulations; it also serves as a processing solvent or co-solvent for coatings, inks, and adhesives; it is a chemical intermediate in organic synthesis for preparing other p-tolyl esters and related aromatic compounds; additionally, it may be encountered as a fragrance/aroma component in select flavor/aroma formulations, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1717.33
    methanol 1606.1
    isopropanol 1198.5
    water 1.01
    ethyl acetate 1533.84
    n-propanol 1335.89
    acetone 2208.38
    n-butanol 1209.63
    acetonitrile 2411.42
    DMF 3146.44
    toluene 520.32
    isobutanol 988.27
    1,4-dioxane 1920.56
    methyl acetate 1366.25
    THF 1819.86
    2-butanone 1600.4
    n-pentanol 678.01
    sec-butanol 1155.82
    n-hexane 98.43
    ethylene glycol 211.45
    NMP 1762.83
    cyclohexane 145.24
    DMSO 1648.93
    n-butyl acetate 927.3
    n-octanol 353.15
    chloroform 3606.41
    n-propyl acetate 760.91
    acetic acid 1337.55
    dichloromethane 3916.14
    cyclohexanone 1841.83
    propylene glycol 302.16
    isopropyl acetate 715.77
    DMAc 1591.09
    2-ethoxyethanol 768.61
    isopentanol 887.26
    n-heptane 44.6
    ethyl formate 925.82
    1,2-dichloroethane 2552.84
    n-hexanol 662.55
    2-methoxyethanol 1386.63
    isobutyl acetate 424.95
    tetrachloromethane 288.75
    n-pentyl acetate 423.02
    transcutol 2113.51
    n-heptanol 299.29
    ethylbenzene 325.48
    MIBK 605.03
    2-propoxyethanol 831.65
    tert-butanol 1424.47
    MTBE 1169.89
    2-butoxyethanol 453.55
    propionic acid 968.83
    o-xylene 321.21
    formic acid 312.5
    diethyl ether 1373.27
    m-xylene 370.89
    p-xylene 410.8
    chlorobenzene 908.17
    dimethyl carbonate 467.17
    n-octane 30.96
    formamide 767.18
    cyclopentanone 1971.05
    2-pentanone 1246.7
    anisole 771.92
    cyclopentyl methyl ether 873.61
    gamma-butyrolactone 2090.22
    1-methoxy-2-propanol 1013.31
    pyridine 1704.25
    3-pentanone 883.59
    furfural 1455.61
    n-dodecane 34.25
    diethylene glycol 557.36
    diisopropyl ether 290.93
    tert-amyl alcohol 1134.03
    acetylacetone 1113.35
    n-hexadecane 39.51
    acetophenone 629.98
    methyl propionate 1058.2
    isopentyl acetate 708.42
    trichloroethylene 4214.77
    n-nonanol 295.46
    cyclohexanol 833.37
    benzyl alcohol 533.06
    2-ethylhexanol 357.98
    isooctanol 238.69
    dipropyl ether 368.25
    1,2-dichlorobenzene 745.14
    ethyl lactate 291.56
    propylene carbonate 1055.52
    n-methylformamide 1444.4
    2-pentanol 750.33
    n-pentane 85.0
    1-propoxy-2-propanol 574.29
    1-methoxy-2-propyl acetate 613.2
    2-(2-methoxypropoxy) propanol 448.27
    mesitylene 219.54
    ε-caprolactone 1310.67
    p-cymene 152.66
    epichlorohydrin 2505.6
    1,1,1-trichloroethane 1719.57
    2-aminoethanol 492.39
    morpholine-4-carbaldehyde 1399.52
    sulfolane 1797.43
    2,2,4-trimethylpentane 55.41
    2-methyltetrahydrofuran 1520.08
    n-hexyl acetate 670.85
    isooctane 45.03
    2-(2-butoxyethoxy)ethanol 637.14
    sec-butyl acetate 462.63
    tert-butyl acetate 708.49
    decalin 84.34
    glycerin 350.94
    diglyme 1086.68
    acrylic acid 824.9
    isopropyl myristate 241.98
    n-butyric acid 1289.53
    acetyl acetate 757.06
    di(2-ethylhexyl) phthalate 195.88
    ethyl propionate 632.0
    nitromethane 2393.02
    1,2-diethoxyethane 777.43
    benzonitrile 789.79
    trioctyl phosphate 154.49
    1-bromopropane 1244.22
    gamma-valerolactone 1930.77
    n-decanol 216.09
    triethyl phosphate 209.2
    4-methyl-2-pentanol 340.67
    propionitrile 1482.54
    vinylene carbonate 1045.1
    1,1,2-trichlorotrifluoroethane 1087.23
    DMS 531.44
    cumene 211.06
    2-octanol 229.69
    2-hexanone 730.14
    octyl acetate 326.84
    limonene 227.97
    1,2-dimethoxyethane 1320.52
    ethyl orthosilicate 200.29
    tributyl phosphate 211.72
    diacetone alcohol 716.2
    N,N-dimethylaniline 412.43
    acrylonitrile 1739.2
    aniline 720.73
    1,3-propanediol 781.02
    bromobenzene 1011.79
    dibromomethane 2344.91
    1,1,2,2-tetrachloroethane 2957.91
    2-methyl-cyclohexyl acetate 362.45
    tetrabutyl urea 256.39
    diisobutyl methanol 186.95
    2-phenylethanol 460.32
    styrene 466.21
    dioctyl adipate 313.21
    dimethyl sulfate 613.22
    ethyl butyrate 524.61
    methyl lactate 369.17
    butyl lactate 298.51
    diethyl carbonate 370.73
    propanediol butyl ether 427.93
    triethyl orthoformate 303.1
    p-tert-butyltoluene 152.79
    methyl 4-tert-butylbenzoate 402.3
    morpholine 2238.66
    tert-butylamine 841.64
    n-dodecanol 162.83
    dimethoxymethane 1257.69
    ethylene carbonate 876.93
    cyrene 408.82
    2-ethoxyethyl acetate 570.93
    2-ethylhexyl acetate 515.34
    1,2,4-trichlorobenzene 841.5
    4-methylpyridine 1575.65
    dibutyl ether 420.96
    2,6-dimethyl-4-heptanol 186.95
    DEF 1391.7
    dimethyl isosorbide 663.47
    tetrachloroethylene 1601.96
    eugenol 432.24
    triacetin 501.11
    span 80 376.08
    1,4-butanediol 276.63
    1,1-dichloroethane 2458.01
    2-methyl-1-pentanol 598.34
    methyl formate 1011.54
    2-methyl-1-butanol 889.34
    n-decane 51.93
    butyronitrile 1432.9
    3,7-dimethyl-1-octanol 309.44
    1-chlorooctane 246.96
    1-chlorotetradecane 101.09
    n-nonane 49.17
    undecane 42.13
    tert-butylcyclohexane 81.28
    cyclooctane 38.74
    cyclopentanol 835.27
    tetrahydropyran 1813.35
    tert-amyl methyl ether 724.92
    2,5,8-trioxanonane 734.58
    1-hexene 469.71
    2-isopropoxyethanol 525.55
    2,2,2-trifluoroethanol 382.5
    methyl butyrate 913.58

    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