m-Tolylacetic acid

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  • Identifiers

    CAS number
    621-36-3

    Molecular formula
    C9H10O2

    SMILES
    CC1=CC(=CC=C1)CC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 83.43%
    Honey 75.21%
    Sweet 66.54%
    Rose 50.92%
    Animal 48.41%
    Powdery 48.03%
    Waxy 44.32%
    Balsamic 38.52%
    Fatty 34.09%
    Phenolic 33.05%

     

    Flavor
    Sweet 72.83%
    Floral 53.76%
    Honey 42.07%
    Waxy 38.68%
    Sour 35.64%
    Mild 33.17%
    Flower 31.76%
    Balsam 29.43%
    Balsamic 26.83%
    Woody 26.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.52 (neutral)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    280°C

    Melting point expt.

    • 62 °C

    Flash point

    • 144.64 ˚C est.

  • Synonyms

    • 3-Methylphenylacetic acid
    • m-Tolylacetic acid
    • 2-(m-Tolyl)acetic acid
    • 2-(3-methylphenyl)acetic acid
    • (3-Methylphenyl)acetic acid
    • Benzeneacetic acid, 3-methyl-
    • 3-Methylbenzeneacetic acid
    • AF4FNN5J9F
    • EINECS 210-683-9
    • NSC-76090
    • CHEBI:88356
    • GJMPSRSMBJLKKB-UHFFFAOYSA-
    • DTXSID30211147
    • NSC 76090
    • RefChem:800404
    • DTXCID30133638
    • 210-683-9
    • InChI=1/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
    • 621-36-3
    • 3-tolylacetic acid
    • m-Methylphenylacetic acid
    • MFCD00004340
    • methyll 3-methylphenylacetate
    • 2-(m-Tolyl)aceticacid
    • m-Tolylacetate
    • 3-Tolylacetate
    • m-tolyl acetic acid
    • m-Methylphenylacetate
    • 2-m-tolylacetic acid
    • 2-m-tolyl acetic acid
    • (3-Methylphenyl)acetate
    • UNII-AF4FNN5J9F
    • Loxoprofen Impurity 159
    • m-Tolylacetic acid, 99%
    • META-TOLYLACETIC ACID
    • SCHEMBL504093
    • ghl.PD_Mitscher_leg0.1056
    • CHEMBL136369
    • Loxoprofen Related Compound 14
    • orb1706143
    • SCHEMBL1259064
    • SCHEMBL3365644
    • SCHEMBL4730606
    • SCHEMBL7228110
    • SCHEMBL10371940
    • SCHEMBL28128791
    • SCHEMBL29407189
    • AAA62136
    • NSC76090
    • STR06561
    • SBB068547
    • STL166136
    • AKOS000154311
    • HY-W053507
    • PS-5142
    • AC-17035
    • SY048780
    • DB-027265
    • CS-0046111
    • NS00034931
    • ST50824219
    • T0880
    • EN300-62618
    • A10247
    • F001325
    • Q27160204
    • 2-(3-Methylphenyl)acetic acid;M-methylphenylacetic acid;
    • F2191-0088
    • 621-36-3

  • Applications

    m-Tolylacetic acid (CAS 621-36-3) is primarily used as an organic building block or intermediate in synthesis, enabling the preparation of pharmaceutical and agrochemical compounds; it also serves as a precursor for functional phenylacetic derivatives such as esters and amides; in the fragrance and flavor sector, it functions as a scent intermediate; in the dyes and pigments industry, it provides a precursor for color-forming compounds; in polymer and plastics chemistry, it can act as a platform for functionalized phenylacetic acid derivatives; in coatings, inks, and adhesives, it is used as a precursor for surface-modifying agents and binders. Overall, m-Tolylacetic acid is a versatile building block across multiple synthetic routes in research and industrial production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 293.93
    methanol 388.83
    isopropanol 145.0
    water 7.21
    ethyl acetate 205.11
    n-propanol 201.51
    acetone 370.84
    n-butanol 180.2
    acetonitrile 161.97
    DMF 953.44
    toluene 14.48
    isobutanol 117.93
    1,4-dioxane 514.37
    methyl acetate 159.33
    THF 650.03
    2-butanone 166.13
    n-pentanol 106.62
    sec-butanol 102.53
    n-hexane 3.1
    ethylene glycol 132.89
    NMP 464.48
    cyclohexane 2.27
    DMSO 568.77
    n-butyl acetate 103.41
    n-octanol 72.84
    chloroform 32.59
    n-propyl acetate 86.71
    acetic acid 230.04
    dichloromethane 69.39
    cyclohexanone 217.02
    propylene glycol 144.14
    isopropyl acetate 96.2
    DMAc 369.51
    2-ethoxyethanol 229.77
    isopentanol 128.28
    n-heptane 7.23
    ethyl formate 145.38
    1,2-dichloroethane 55.39
    n-hexanol 160.73
    2-methoxyethanol 550.68
    isobutyl acetate 53.15
    tetrachloromethane 5.8
    n-pentyl acetate 56.27
    transcutol 528.27
    n-heptanol 65.36
    ethylbenzene 14.18
    MIBK 105.17
    2-propoxyethanol 368.22
    tert-butanol 186.93
    MTBE 78.11
    2-butoxyethanol 143.83
    propionic acid 156.18
    o-xylene 16.95
    formic acid 148.24
    diethyl ether 112.13
    m-xylene 23.7
    p-xylene 16.04
    chlorobenzene 21.99
    dimethyl carbonate 121.95
    n-octane 2.6
    formamide 230.13
    cyclopentanone 371.52
    2-pentanone 195.02
    anisole 80.11
    cyclopentyl methyl ether 182.43
    gamma-butyrolactone 472.94
    1-methoxy-2-propanol 407.86
    pyridine 82.04
    3-pentanone 99.0
    furfural 259.05
    n-dodecane 3.72
    diethylene glycol 311.19
    diisopropyl ether 29.84
    tert-amyl alcohol 117.49
    acetylacetone 250.82
    n-hexadecane 4.09
    acetophenone 68.94
    methyl propionate 208.49
    isopentyl acetate 80.16
    trichloroethylene 88.87
    n-nonanol 64.8
    cyclohexanol 85.53
    benzyl alcohol 68.19
    2-ethylhexanol 70.45
    isooctanol 48.89
    dipropyl ether 93.68
    1,2-dichlorobenzene 27.61
    ethyl lactate 75.23
    propylene carbonate 213.02
    n-methylformamide 410.95
    2-pentanol 94.88
    n-pentane 2.84
    1-propoxy-2-propanol 205.48
    1-methoxy-2-propyl acetate 162.15
    2-(2-methoxypropoxy) propanol 140.82
    mesitylene 16.72
    ε-caprolactone 203.78
    p-cymene 21.77
    epichlorohydrin 401.22
    1,1,1-trichloroethane 30.91
    2-aminoethanol 214.47
    morpholine-4-carbaldehyde 544.42
    sulfolane 462.28
    2,2,4-trimethylpentane 3.37
    2-methyltetrahydrofuran 275.17
    n-hexyl acetate 98.31
    isooctane 3.8
    2-(2-butoxyethoxy)ethanol 220.29
    sec-butyl acetate 52.75
    tert-butyl acetate 113.14
    decalin 4.12
    glycerin 206.7
    diglyme 343.48
    acrylic acid 134.24
    isopropyl myristate 45.23
    n-butyric acid 189.66
    acetyl acetate 120.8
    di(2-ethylhexyl) phthalate 50.11
    ethyl propionate 95.26
    nitromethane 481.5
    1,2-diethoxyethane 140.26
    benzonitrile 62.37
    trioctyl phosphate 44.66
    1-bromopropane 24.15
    gamma-valerolactone 524.53
    n-decanol 52.52
    triethyl phosphate 46.66
    4-methyl-2-pentanol 60.12
    propionitrile 104.53
    vinylene carbonate 163.96
    1,1,2-trichlorotrifluoroethane 169.69
    DMS 94.37
    cumene 15.15
    2-octanol 38.9
    2-hexanone 89.04
    octyl acetate 64.41
    limonene 33.11
    1,2-dimethoxyethane 338.1
    ethyl orthosilicate 43.08
    tributyl phosphate 49.57
    diacetone alcohol 199.35
    N,N-dimethylaniline 53.48
    acrylonitrile 135.05
    aniline 45.55
    1,3-propanediol 263.68
    bromobenzene 15.61
    dibromomethane 28.97
    1,1,2,2-tetrachloroethane 55.93
    2-methyl-cyclohexyl acetate 70.36
    tetrabutyl urea 72.83
    diisobutyl methanol 44.2
    2-phenylethanol 84.11
    styrene 14.29
    dioctyl adipate 73.17
    dimethyl sulfate 168.5
    ethyl butyrate 85.11
    methyl lactate 136.8
    butyl lactate 68.45
    diethyl carbonate 62.25
    propanediol butyl ether 141.47
    triethyl orthoformate 60.56
    p-tert-butyltoluene 22.1
    methyl 4-tert-butylbenzoate 101.47
    morpholine 520.63
    tert-butylamine 78.22
    n-dodecanol 40.65
    dimethoxymethane 527.26
    ethylene carbonate 146.63
    cyrene 150.87
    2-ethoxyethyl acetate 100.62
    2-ethylhexyl acetate 57.66
    1,2,4-trichlorobenzene 35.09
    4-methylpyridine 93.08
    dibutyl ether 58.17
    2,6-dimethyl-4-heptanol 44.2
    DEF 236.16
    dimethyl isosorbide 255.22
    tetrachloroethylene 31.98
    eugenol 106.64
    triacetin 103.74
    span 80 121.62
    1,4-butanediol 102.65
    1,1-dichloroethane 37.58
    2-methyl-1-pentanol 75.44
    methyl formate 325.83
    2-methyl-1-butanol 106.05
    n-decane 4.95
    butyronitrile 119.75
    3,7-dimethyl-1-octanol 62.45
    1-chlorooctane 24.87
    1-chlorotetradecane 12.45
    n-nonane 4.17
    undecane 4.31
    tert-butylcyclohexane 5.35
    cyclooctane 1.53
    cyclopentanol 142.42
    tetrahydropyran 217.11
    tert-amyl methyl ether 69.96
    2,5,8-trioxanonane 265.0
    1-hexene 16.52
    2-isopropoxyethanol 133.68
    2,2,2-trifluoroethanol 89.46
    methyl butyrate 115.95

    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