m-Toluic Acid

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  • Identifiers

    CAS number
    99-04-7

    Molecular formula
    C8H8O2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 54.28%
    Animal 41.18%
    Balsamic 39.74%
    Floral 38.28%
    Sweet 37.19%
    Honey 36.95%
    Odorless 32.38%
    Aromatic 32.24%
    Powdery 31.67%
    Bitter 31.14%

     

    Flavor
    Phenolic 57.98%
    Sweet 57.87%
    Balsam 45.75%
    Faint 35.75%
    Nutty 35.38%
    Balsamic 34.3%
    Almond 33.57%
    Powdery 32.05%
    Mild 31.37%
    Honey 30.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.05 (neutral)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 232 to 235 °F (NTP, 1992)

    Boiling point

    • 504 °F at 760 mmHg (sublimes) (NTP, 1992)

    Flash point

    • 125.86 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)

  • Synonyms

    • 3-Methylbenzoic acid
    • M-TOLUIC ACID
    • 99-04-7
    • m-Toluylic acid
    • 3-Toluic acid
    • Benzoic acid, 3-methyl-
    • meta-Toluic acid
    • m-Methylbenzoic acid
    • beta-Methylbenzoic acid
    • 3-Methyl-Benzoic Acid
    • beta-Bethylbenzoic acid
    • 1UA7K8EEXT
    • NSC 2214
    • EINECS 202-723-9
    • BRN 0970526
    • DTXSID1021617
    • CHEBI:10589
    • AI3-15626
    • META TOLUIC ACID
    • NSC-2214
    • M-TOLUIC ACID [MI]
    • BENZOIC ACID,3-METHYL
    • DTXCID401617
    • beta-bethylbenzoate
    • 3-Methylbenzoic acid(Flakes or Chunks or Granular)
    • 3-Methylbenzoicacid
    • CAS-99-04-7
    • M-ToluicAcidForSynthesis
    • UNII-1UA7K8EEXT
    • 3-toluic acid, zinc salt
    • 3-toluic acid, barium salt
    • 3-toluic acid, cadmium salt
    • mMethylbenzoate
    • meta-toluate
    • metaToluic acid
    • mToluylic acid
    • m-Toluylate
    • b-Bethylbenzoate
    • b-Methylbenzoate
    • 3toluic acid
    • 3-methyl-benzoate
    • beta-Methylbenzoate
    • mMethylbenzoic acid
    • 3Methylbenzoic acid
    • OVV
    • 3-methylbenzic acid
    • b-Bethylbenzoic acid
    • b-Methylbenzoic acid
    • MFCD00002523
    • betaMethylbenzoic acid
    • m-methyl-benzoic acid
    • meta-methylbenzoic acid
    • Benzoic acid, 3methyl
    • bmse000553
    • NCIOpen2_000993
    • SCHEMBL14406
    • CHEMBL67450
    • NSC2214
    • Tox21_201591
    • Tox21_302796
    • STK397307
    • AKOS000120442
    • m-Toluic acid, ReagentPlus(R), 99%
    • NCGC00091271-01
    • NCGC00091271-02
    • NCGC00091271-03
    • NCGC00256583-01
    • NCGC00259140-01
    • AS-10810
    • HY-78571
    • CS-0008583
    • NS00009029
    • T0291
    • EN300-18413
    • C07211
    • D70873
    • m-Toluic acid, Vetec(TM) reagent grade, 98%
    • AB-131/40222909
    • Q1241221
    • Z57913535
    • F2191-0114
    • 3-Methylbenzoic acid; m-Methylbenzoic acid; m-Toluylic acid; beta-Methylbenzoic acid
    • 202-723-9
    • OW9

  • Applications

    m-Toluic Acid (CAS 99-04-7) is used as an intermediate in the manufacture of dyes and pigments; serves as a building block for pharmaceutical and agrochemical intermediates; is considered a key intermediate in fragrance and flavor chemistry through the synthesis of aroma compounds; is employed in polymer and plastics synthesis as an intermediate for specialty monomers or resin additives; and is used in coatings, inks, and adhesives as a building block for resin systems and pigment formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 456.12
    methanol 564.25
    isopropanol 362.46
    water 3.62
    ethyl acetate 245.37
    n-propanol 356.45
    acetone 471.55
    n-butanol 275.65
    acetonitrile 206.34
    DMF 1082.43
    toluene 83.36
    isobutanol 234.97
    1,4-dioxane 551.99
    methyl acetate 242.22
    THF 1312.44
    2-butanone 384.64
    n-pentanol 250.47
    sec-butanol 314.64
    n-hexane 23.89
    ethylene glycol 160.22
    NMP 317.06
    cyclohexane 7.97
    DMSO 729.18
    n-butyl acetate 132.46
    n-octanol 187.49
    chloroform 190.91
    n-propyl acetate 133.09
    acetic acid 124.24
    dichloromethane 175.25
    cyclohexanone 237.7
    propylene glycol 159.55
    isopropyl acetate 137.12
    DMAc 417.1
    2-ethoxyethanol 347.09
    isopentanol 216.66
    n-heptane 14.96
    ethyl formate 147.92
    1,2-dichloroethane 192.87
    n-hexanol 312.04
    2-methoxyethanol 508.44
    isobutyl acetate 90.86
    tetrachloromethane 30.64
    n-pentyl acetate 105.49
    transcutol 385.16
    n-heptanol 183.63
    ethylbenzene 70.44
    MIBK 193.38
    2-propoxyethanol 453.03
    tert-butanol 400.13
    MTBE 278.86
    2-butoxyethanol 263.51
    propionic acid 153.53
    o-xylene 60.03
    formic acid 97.39
    diethyl ether 264.09
    m-xylene 84.26
    p-xylene 68.35
    chlorobenzene 85.2
    dimethyl carbonate 120.7
    n-octane 12.01
    formamide 164.33
    cyclopentanone 506.66
    2-pentanone 326.59
    anisole 170.78
    cyclopentyl methyl ether 308.31
    gamma-butyrolactone 427.95
    1-methoxy-2-propanol 454.91
    pyridine 190.09
    3-pentanone 184.18
    furfural 227.5
    n-dodecane 11.18
    diethylene glycol 333.58
    diisopropyl ether 72.16
    tert-amyl alcohol 317.05
    acetylacetone 248.48
    n-hexadecane 12.27
    acetophenone 114.84
    methyl propionate 239.08
    isopentyl acetate 119.19
    trichloroethylene 244.36
    n-nonanol 153.15
    cyclohexanol 144.45
    benzyl alcohol 126.7
    2-ethylhexanol 130.36
    isooctanol 134.09
    dipropyl ether 118.8
    1,2-dichlorobenzene 73.52
    ethyl lactate 85.91
    propylene carbonate 143.07
    n-methylformamide 397.52
    2-pentanol 225.72
    n-pentane 15.76
    1-propoxy-2-propanol 264.66
    1-methoxy-2-propyl acetate 157.96
    2-(2-methoxypropoxy) propanol 152.36
    mesitylene 51.93
    ε-caprolactone 174.49
    p-cymene 40.25
    epichlorohydrin 556.26
    1,1,1-trichloroethane 121.98
    2-aminoethanol 264.04
    morpholine-4-carbaldehyde 354.91
    sulfolane 409.3
    2,2,4-trimethylpentane 12.73
    2-methyltetrahydrofuran 481.47
    n-hexyl acetate 162.58
    isooctane 14.63
    2-(2-butoxyethoxy)ethanol 256.94
    sec-butyl acetate 88.97
    tert-butyl acetate 162.12
    decalin 12.55
    glycerin 175.22
    diglyme 388.45
    acrylic acid 112.09
    isopropyl myristate 66.96
    n-butyric acid 179.26
    acetyl acetate 76.79
    di(2-ethylhexyl) phthalate 51.74
    ethyl propionate 126.42
    nitromethane 283.4
    1,2-diethoxyethane 151.27
    benzonitrile 102.58
    trioctyl phosphate 54.9
    1-bromopropane 132.99
    gamma-valerolactone 400.72
    n-decanol 114.7
    triethyl phosphate 43.06
    4-methyl-2-pentanol 139.36
    propionitrile 203.03
    vinylene carbonate 111.06
    1,1,2-trichlorotrifluoroethane 206.72
    DMS 82.96
    cumene 51.2
    2-octanol 133.27
    2-hexanone 202.16
    octyl acetate 94.78
    limonene 53.31
    1,2-dimethoxyethane 436.6
    ethyl orthosilicate 44.2
    tributyl phosphate 47.83
    diacetone alcohol 263.65
    N,N-dimethylaniline 113.24
    acrylonitrile 226.11
    aniline 112.62
    1,3-propanediol 288.42
    bromobenzene 73.02
    dibromomethane 126.15
    1,1,2,2-tetrachloroethane 215.26
    2-methyl-cyclohexyl acetate 72.56
    tetrabutyl urea 73.61
    diisobutyl methanol 74.96
    2-phenylethanol 160.92
    styrene 74.0
    dioctyl adipate 69.01
    dimethyl sulfate 177.42
    ethyl butyrate 90.15
    methyl lactate 137.98
    butyl lactate 87.05
    diethyl carbonate 50.25
    propanediol butyl ether 207.62
    triethyl orthoformate 56.34
    p-tert-butyltoluene 45.25
    methyl 4-tert-butylbenzoate 130.41
    morpholine 563.75
    tert-butylamine 210.02
    n-dodecanol 83.96
    dimethoxymethane 550.16
    ethylene carbonate 92.13
    cyrene 133.68
    2-ethoxyethyl acetate 123.72
    2-ethylhexyl acetate 82.71
    1,2,4-trichlorobenzene 78.94
    4-methylpyridine 197.06
    dibutyl ether 101.33
    2,6-dimethyl-4-heptanol 74.96
    DEF 244.95
    dimethyl isosorbide 216.63
    tetrachloroethylene 122.47
    eugenol 157.76
    triacetin 79.57
    span 80 132.56
    1,4-butanediol 160.99
    1,1-dichloroethane 195.41
    2-methyl-1-pentanol 181.22
    methyl formate 278.74
    2-methyl-1-butanol 208.58
    n-decane 18.27
    butyronitrile 202.97
    3,7-dimethyl-1-octanol 128.65
    1-chlorooctane 84.98
    1-chlorotetradecane 32.44
    n-nonane 17.69
    undecane 14.05
    tert-butylcyclohexane 17.86
    cyclooctane 5.56
    cyclopentanol 240.32
    tetrahydropyran 382.38
    tert-amyl methyl ether 195.78
    2,5,8-trioxanonane 253.59
    1-hexene 111.18
    2-isopropoxyethanol 233.68
    2,2,2-trifluoroethanol 60.95
    methyl butyrate 160.02

    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