Ethyl 2-methylbenzoate

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  • Identifiers

    CAS number
    87-24-1

    Molecular formula
    C10H12O2

    SMILES
    CCOC(=O)C1=CC=CC=C1C

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Floral 87.99%
    Sweet 63.88%
    Fruity 61.6%
    Grape 44.14%
    Cherry 42.67%
    Powdery 38.54%
    Anisic 37.7%
    Neroli 36.59%
    Hawthorn 34.17%
    Phenolic 33.65%

     

    Flavor
    Sweet 72.02%
    Floral 64.28%
    Fruity 60.07%
    Balsam 57.75%
    Powdery 43.06%
    Wintergreen 41.28%
    Bitter 38.79%
    Cherry 38.21%
    Grape 37.75%
    Herbal 36.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.14 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 94.32 ˚C est.

  • Synonyms

    • Ethyl 2-methylbenzoate
    • 87-24-1
    • Ethyl o-toluate
    • Ethyl o-methylbenzoate
    • o-Toluic acid ethyl ester
    • ethyl-o-toluate
    • Ethyl-2-methylbenzoate
    • o-Toluic acid, ethyl ester
    • DTXSID4040711
    • UNII-384Q41M534
    • EINECS 201-734-6
    • NSC 29048
    • NSC-29048
    • o-Toluylic acid, ethyl ester
    • AI3-04247
    • 384Q41M534
    • DTXCID2020711
    • SOUAXOGPALPTTC-UHFFFAOYSA-
    • RefChem:138621
    • o-Toluic acid, ethyl ester (8CI)
    • InChI=1/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
    • SOUAXOGPALPTTC-UHFFFAOYSA-N
    • Ethyl orthotoluate
    • 2-Methylbenzoic Acid Ethyl Ester
    • 2-methyl-benzoic acid ethyl ester
    • MFCD00009112
    • ethyl 2-toluate
    • Benzoic acid, 2-methyl-, ethyl ester
    • Ethyl2-methylbenzoate
    • SCHEMBL1569293
    • SCHEMBL3860388
    • SCHEMBL6890686
    • SCHEMBL9358871
    • CHEMBL1882976
    • SCHEMBL29258466
    • SCHEMBL29535471
    • NSC29048
    • Tox21_302249
    • SBB064989
    • AKOS005206857
    • FE71279
    • CAS-87-24-1
    • NCGC00164111-01
    • NCGC00255547-01
    • AS-57665
    • ST092691
    • SY024498
    • DB-056987
    • CS-0151742
    • NS00039180
    • T0294
    • F470924
    • doi:10.14272/SOUAXOGPALPTTC-UHFFFAOYSA-N.1
    • Q27256740
    • 87-24-1

  • Applications

    Ethyl 2-methylbenzoate is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing fruity to floral notes and sometimes serving as a scent fixative in formulations; it is also evaluated as an aroma compound in select flavor applications. In industrial manufacturing, it functions as an intermediate in organic synthesis and can serve as a specialty solvent or carrier for other aromatic additives in coatings, inks, and cleaning products. It may also appear as a fragrance component in certain household products, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1018.57
    methanol 1055.26
    isopropanol 804.66
    water 3.08
    ethyl acetate 558.51
    n-propanol 866.5
    acetone 934.91
    n-butanol 817.68
    acetonitrile 1463.68
    DMF 2153.57
    toluene 397.3
    isobutanol 634.21
    1,4-dioxane 1339.6
    methyl acetate 692.07
    THF 1171.12
    2-butanone 728.2
    n-pentanol 576.53
    sec-butanol 799.13
    n-hexane 112.78
    ethylene glycol 211.79
    NMP 1192.09
    cyclohexane 236.32
    DMSO 1082.53
    n-butyl acetate 506.94
    n-octanol 377.35
    chloroform 3702.22
    n-propyl acetate 419.31
    acetic acid 867.59
    dichloromethane 3468.91
    cyclohexanone 1232.77
    propylene glycol 252.29
    isopropyl acetate 285.47
    DMAc 901.98
    2-ethoxyethanol 546.71
    isopentanol 516.44
    n-heptane 71.96
    ethyl formate 686.99
    1,2-dichloroethane 1816.56
    n-hexanol 520.58
    2-methoxyethanol 955.86
    isobutyl acetate 229.1
    tetrachloromethane 426.94
    n-pentyl acetate 322.74
    transcutol 922.15
    n-heptanol 297.48
    ethylbenzene 282.33
    MIBK 303.26
    2-propoxyethanol 579.13
    tert-butanol 737.92
    MTBE 418.49
    2-butoxyethanol 380.08
    propionic acid 689.42
    o-xylene 260.69
    formic acid 247.23
    diethyl ether 560.2
    m-xylene 263.35
    p-xylene 369.39
    chlorobenzene 798.42
    dimethyl carbonate 313.0
    n-octane 50.54
    formamide 520.94
    cyclopentanone 1162.87
    2-pentanone 570.23
    anisole 495.99
    cyclopentyl methyl ether 492.47
    gamma-butyrolactone 1331.16
    1-methoxy-2-propanol 628.82
    pyridine 1458.57
    3-pentanone 421.29
    furfural 1190.27
    n-dodecane 49.89
    diethylene glycol 438.67
    diisopropyl ether 139.45
    tert-amyl alcohol 594.82
    acetylacetone 521.74
    n-hexadecane 57.41
    acetophenone 445.43
    methyl propionate 522.33
    isopentyl acetate 369.76
    trichloroethylene 3172.58
    n-nonanol 309.42
    cyclohexanol 735.64
    benzyl alcohol 464.42
    2-ethylhexanol 281.36
    isooctanol 220.9
    dipropyl ether 276.26
    1,2-dichlorobenzene 694.9
    ethyl lactate 242.97
    propylene carbonate 782.24
    n-methylformamide 1054.63
    2-pentanol 484.87
    n-pentane 105.24
    1-propoxy-2-propanol 418.5
    1-methoxy-2-propyl acetate 349.29
    2-(2-methoxypropoxy) propanol 311.89
    mesitylene 182.35
    ε-caprolactone 834.87
    p-cymene 154.65
    epichlorohydrin 1442.0
    1,1,1-trichloroethane 1295.87
    2-aminoethanol 428.61
    morpholine-4-carbaldehyde 996.86
    sulfolane 1308.75
    2,2,4-trimethylpentane 48.28
    2-methyltetrahydrofuran 803.55
    n-hexyl acetate 531.05
    isooctane 39.55
    2-(2-butoxyethoxy)ethanol 458.89
    sec-butyl acetate 227.04
    tert-butyl acetate 302.05
    decalin 93.49
    glycerin 304.09
    diglyme 778.35
    acrylic acid 634.11
    isopropyl myristate 206.05
    n-butyric acid 826.61
    acetyl acetate 348.04
    di(2-ethylhexyl) phthalate 173.31
    ethyl propionate 371.66
    nitromethane 1396.61
    1,2-diethoxyethane 406.96
    benzonitrile 767.95
    trioctyl phosphate 149.23
    1-bromopropane 969.78
    gamma-valerolactone 1203.04
    n-decanol 231.12
    triethyl phosphate 180.2
    4-methyl-2-pentanol 212.35
    propionitrile 1077.61
    vinylene carbonate 886.05
    1,1,2-trichlorotrifluoroethane 835.65
    DMS 354.18
    cumene 190.41
    2-octanol 250.68
    2-hexanone 430.82
    octyl acetate 274.55
    limonene 216.07
    1,2-dimethoxyethane 931.16
    ethyl orthosilicate 167.47
    tributyl phosphate 173.89
    diacetone alcohol 388.29
    N,N-dimethylaniline 314.19
    acrylonitrile 1331.44
    aniline 545.73
    1,3-propanediol 591.87
    bromobenzene 870.22
    dibromomethane 2309.08
    1,1,2,2-tetrachloroethane 2164.72
    2-methyl-cyclohexyl acetate 259.25
    tetrabutyl urea 237.06
    diisobutyl methanol 154.59
    2-phenylethanol 382.56
    styrene 390.41
    dioctyl adipate 266.04
    dimethyl sulfate 410.74
    ethyl butyrate 359.0
    methyl lactate 289.84
    butyl lactate 274.82
    diethyl carbonate 302.26
    propanediol butyl ether 389.65
    triethyl orthoformate 236.52
    p-tert-butyltoluene 146.67
    methyl 4-tert-butylbenzoate 343.17
    morpholine 1364.74
    tert-butylamine 466.81
    n-dodecanol 180.39
    dimethoxymethane 730.59
    ethylene carbonate 710.08
    cyrene 306.03
    2-ethoxyethyl acetate 347.13
    2-ethylhexyl acetate 289.34
    1,2,4-trichlorobenzene 720.18
    4-methylpyridine 1078.79
    dibutyl ether 343.86
    2,6-dimethyl-4-heptanol 154.59
    DEF 702.35
    dimethyl isosorbide 459.9
    tetrachloroethylene 1381.89
    eugenol 346.84
    triacetin 365.39
    span 80 312.09
    1,4-butanediol 278.28
    1,1-dichloroethane 1692.81
    2-methyl-1-pentanol 401.79
    methyl formate 767.14
    2-methyl-1-butanol 547.37
    n-decane 77.43
    butyronitrile 1000.19
    3,7-dimethyl-1-octanol 269.82
    1-chlorooctane 282.66
    1-chlorotetradecane 120.8
    n-nonane 79.05
    undecane 60.52
    tert-butylcyclohexane 77.98
    cyclooctane 61.55
    cyclopentanol 722.6
    tetrahydropyran 1127.59
    tert-amyl methyl ether 324.74
    2,5,8-trioxanonane 550.35
    1-hexene 363.08
    2-isopropoxyethanol 343.53
    2,2,2-trifluoroethanol 281.05
    methyl butyrate 568.32

    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