Ethyl m-toluate

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  • Identifiers

    CAS number
    120-33-2

    Molecular formula
    C10H12O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 89.96%
    Floral 82.56%
    Sweet 76.83%
    Cherry 57.62%
    Grape 39.28%
    Berry 39.2%
    Powdery 38.45%
    Anisic 38.02%
    Balsamic 37.69%
    Almond 31.88%

     

    Flavor
    Sweet 67.03%
    Fruity 64.69%
    Balsam 63.03%
    Floral 56.01%
    Cherry 42.56%
    Herbal 41.34%
    Powdery 39.59%
    Wintergreen 38.68%
    Strawberry 35.09%
    Balsamic 34.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.16 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 94.9 ˚C est.

  • Synonyms

    • Ethyl 3-methylbenzoate
    • Ethyl m-toluate
    • Benzoic acid, 3-methyl-, ethyl ester
    • AI3-30145
    • EINECS 204-386-3
    • DTXSID70152641
    • NSC 20009
    • RefChem:596254
    • DTXCID2075132
    • 204-386-3
    • 120-33-2
    • Ethyl m-methylbenzoate
    • 3-Methylbenzoic acid ethyl ester
    • Ethyl-3-methylbenzoate
    • 3-Methyl-benzoic acid ethyl ester
    • MFCD00009114
    • m-Toluic acid, ethyl ester
    • H3AK4M7DH5
    • NSC-20009
    • Ethyl3-methylbenzoate
    • Ethyl m-toluate, 99%
    • UNII-H3AK4M7DH5
    • SCHEMBL96524
    • m-Toluylic acid, ethyl ester
    • SCHEMBL570920
    • SCHEMBL6872404
    • SCHEMBL6972310
    • SCHEMBL7492169
    • SCHEMBL11346524
    • SCHEMBL11477345
    • SCHEMBL11833488
    • SCHEMBL29360475
    • NSC20009
    • SBB064988
    • AKOS008948084
    • s12346
    • AC-20571
    • BS-20053
    • ST092717
    • SY078819
    • DB-015817
    • CS-0169763
    • NS00023912
    • F228953
    • 120-33-2

  • Applications

    Ethyl m-toluate (CAS 120-33-2) is commonly used as an odorant in perfumery and as a fragrance ingredient in cosmetics and personal care products. It also serves as a fragrance component in household cleaning products. In industrial manufacturing, it acts as an intermediate in the synthesis of aroma chemicals and can function as a processing aid or solvent in fragrance formulations. Additionally, it may be used as a building block for related esters in coatings and inks, subject to formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 597.47
    methanol 814.97
    isopropanol 476.82
    water 0.91
    ethyl acetate 318.48
    n-propanol 488.61
    acetone 470.22
    n-butanol 534.92
    acetonitrile 423.54
    DMF 1227.45
    toluene 282.47
    isobutanol 384.35
    1,4-dioxane 796.94
    methyl acetate 341.68
    THF 625.1
    2-butanone 395.21
    n-pentanol 387.11
    sec-butanol 426.35
    n-hexane 59.65
    ethylene glycol 146.99
    NMP 580.33
    cyclohexane 90.86
    DMSO 506.18
    n-butyl acetate 363.75
    n-octanol 234.25
    chloroform 1469.77
    n-propyl acetate 235.26
    acetic acid 439.98
    dichloromethane 1152.8
    cyclohexanone 581.57
    propylene glycol 159.26
    isopropyl acetate 186.97
    DMAc 681.0
    2-ethoxyethanol 396.65
    isopentanol 430.88
    n-heptane 34.01
    ethyl formate 307.9
    1,2-dichloroethane 771.85
    n-hexanol 433.49
    2-methoxyethanol 661.55
    isobutyl acetate 159.5
    tetrachloromethane 155.23
    n-pentyl acetate 196.74
    transcutol 856.5
    n-heptanol 189.91
    ethylbenzene 194.98
    MIBK 218.03
    2-propoxyethanol 491.88
    tert-butanol 549.12
    MTBE 386.67
    2-butoxyethanol 276.21
    propionic acid 295.33
    o-xylene 182.82
    formic acid 158.87
    diethyl ether 378.0
    m-xylene 188.68
    p-xylene 222.74
    chlorobenzene 399.04
    dimethyl carbonate 164.24
    n-octane 23.81
    formamide 244.11
    cyclopentanone 516.32
    2-pentanone 332.5
    anisole 354.23
    cyclopentyl methyl ether 299.12
    gamma-butyrolactone 536.35
    1-methoxy-2-propanol 420.35
    pyridine 626.55
    3-pentanone 242.17
    furfural 612.97
    n-dodecane 25.13
    diethylene glycol 382.29
    diisopropyl ether 100.7
    tert-amyl alcohol 458.2
    acetylacetone 299.46
    n-hexadecane 28.53
    acetophenone 289.92
    methyl propionate 267.68
    isopentyl acetate 301.93
    trichloroethylene 1353.2
    n-nonanol 194.45
    cyclohexanol 408.37
    benzyl alcohol 303.53
    2-ethylhexanol 224.65
    isooctanol 151.63
    dipropyl ether 178.67
    1,2-dichlorobenzene 332.42
    ethyl lactate 143.67
    propylene carbonate 358.59
    n-methylformamide 456.86
    2-pentanol 318.68
    n-pentane 51.56
    1-propoxy-2-propanol 307.97
    1-methoxy-2-propyl acetate 256.77
    2-(2-methoxypropoxy) propanol 262.87
    mesitylene 120.14
    ε-caprolactone 451.12
    p-cymene 101.19
    epichlorohydrin 754.22
    1,1,1-trichloroethane 571.22
    2-aminoethanol 281.05
    morpholine-4-carbaldehyde 595.16
    sulfolane 538.85
    2,2,4-trimethylpentane 34.36
    2-methyltetrahydrofuran 444.33
    n-hexyl acetate 325.2
    isooctane 26.98
    2-(2-butoxyethoxy)ethanol 355.83
    sec-butyl acetate 164.96
    tert-butyl acetate 229.01
    decalin 55.3
    glycerin 221.3
    diglyme 579.75
    acrylic acid 283.6
    isopropyl myristate 120.01
    n-butyric acid 446.72
    acetyl acetate 201.56
    di(2-ethylhexyl) phthalate 118.72
    ethyl propionate 201.75
    nitromethane 542.26
    1,2-diethoxyethane 317.62
    benzonitrile 384.65
    trioctyl phosphate 91.3
    1-bromopropane 440.2
    gamma-valerolactone 656.41
    n-decanol 145.68
    triethyl phosphate 110.73
    4-methyl-2-pentanol 178.26
    propionitrile 417.68
    vinylene carbonate 407.82
    1,1,2-trichlorotrifluoroethane 470.63
    DMS 201.58
    cumene 132.11
    2-octanol 151.07
    2-hexanone 277.34
    octyl acetate 164.15
    limonene 140.88
    1,2-dimethoxyethane 659.8
    ethyl orthosilicate 111.91
    tributyl phosphate 107.9
    diacetone alcohol 284.19
    N,N-dimethylaniline 230.96
    acrylonitrile 488.81
    aniline 353.69
    1,3-propanediol 393.64
    bromobenzene 421.48
    dibromomethane 792.03
    1,1,2,2-tetrachloroethane 1036.48
    2-methyl-cyclohexyl acetate 175.77
    tetrabutyl urea 149.08
    diisobutyl methanol 119.58
    2-phenylethanol 293.77
    styrene 269.77
    dioctyl adipate 155.44
    dimethyl sulfate 218.82
    ethyl butyrate 215.19
    methyl lactate 155.52
    butyl lactate 164.56
    diethyl carbonate 164.98
    propanediol butyl ether 259.02
    triethyl orthoformate 149.71
    p-tert-butyltoluene 100.25
    methyl 4-tert-butylbenzoate 215.0
    morpholine 843.4
    tert-butylamine 353.67
    n-dodecanol 110.03
    dimethoxymethane 480.57
    ethylene carbonate 319.44
    cyrene 214.36
    2-ethoxyethyl acetate 229.71
    2-ethylhexyl acetate 231.56
    1,2,4-trichlorobenzene 360.66
    4-methylpyridine 627.86
    dibutyl ether 207.91
    2,6-dimethyl-4-heptanol 119.58
    DEF 448.97
    dimethyl isosorbide 322.6
    tetrachloroethylene 644.31
    eugenol 249.73
    triacetin 208.45
    span 80 221.39
    1,4-butanediol 183.75
    1,1-dichloroethane 683.79
    2-methyl-1-pentanol 357.68
    methyl formate 349.59
    2-methyl-1-butanol 423.96
    n-decane 38.73
    butyronitrile 464.19
    3,7-dimethyl-1-octanol 186.7
    1-chlorooctane 157.29
    1-chlorotetradecane 64.86
    n-nonane 37.55
    undecane 30.91
    tert-butylcyclohexane 51.95
    cyclooctane 28.42
    cyclopentanol 300.37
    tetrahydropyran 621.71
    tert-amyl methyl ether 296.61
    2,5,8-trioxanonane 413.7
    1-hexene 239.71
    2-isopropoxyethanol 277.07
    2,2,2-trifluoroethanol 134.78
    methyl butyrate 311.15

    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