2,6-Dimethylbenzoic acid

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  • Identifiers

    CAS number
    632-46-2

    Molecular formula
    C9H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 58.71%
    Phenolic 54.78%
    Sweet 49.45%
    Animal 44.27%
    Powdery 38.77%
    Honey 38.51%
    Dry 32.14%
    Woody 30.19%
    Aromatic 29.35%
    Hay 29.32%

     

    Flavor
    Phenolic 54.46%
    Sweet 38.84%
    Nutty 34.87%
    Woody 33.95%
    Mild 31.44%
    Powdery 29.6%
    Tobacco 28.36%
    Musty 28.0%
    Dry 26.75%
    Honey 25.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.58 (neutral)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    266°C

    Flash point

    • 129.62 ˚C est.

  • Synonyms

    • 2,6-DIMETHYLBENZOIC ACID
    • 632-46-2
    • Benzoic acid, 2,6-dimethyl-
    • 2,6-Dimethylbenzoicacid
    • MFCD00002483
    • 2,6-DiMethyl-Benzoic Acid
    • m-Xylene-2-carboxylic Acid
    • 2,6-Dimethylbenzoic Acid-d6
    • 2,6-dimethylbenzene carboxylic acid
    • 58310-17-1
    • BRN 1863791
    • EINECS 211-177-0
    • 2,6-dimethyl benzoic acid
    • 22KHJ5PY4K
    • SCHEMBL355272
    • SCHEMBL502187
    • 2-Carboxy-1,3-dimethylbenzene
    • SCHEMBL4278064
    • SCHEMBL4730604
    • CHEBI:64827
    • DTXSID10212551
    • 2,6-Dimethylbenzoic acid, 97%
    • CL8016
    • SBB007881
    • AKOS006221869
    • AC-1227
    • CS-W017744
    • FD22359
    • FS-1055
    • SY009326
    • DB-020236
    • D2260
    • NS00035396
    • ST45025843
    • EN300-82114
    • 632D462
    • AL-398/25017066
    • F003427
    • Q27133473
    • Z1203161913
    • InChI=1/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11
    • 632-46-2

  • Applications

    2,6-Dimethylbenzoic acid (CAS 632-46-2) is primarily used as an aromatic building block and synthetic intermediate. It is commonly employed to prepare esters and amides for pharmaceutical and agrochemical syntheses, and can serve as a precursor in the production of specialty dyes and pigments. In fragrance chemistry, it may act as a scaffold for aroma compounds and related derivatives; in coatings and polymers, it provides a reactive aryl carboxylate that can be converted into resins or functionalized derivatives. It is typically used within broader organic synthesis workflows, with applications and handling governed by formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2200.39
    methanol 2674.58
    isopropanol 1204.2
    water 17.83
    ethyl acetate 1042.28
    n-propanol 1645.62
    acetone 1795.83
    n-butanol 1094.93
    acetonitrile 2050.14
    DMF 1979.94
    toluene 443.49
    isobutanol 787.49
    1,4-dioxane 4211.73
    methyl acetate 956.27
    THF 5771.74
    2-butanone 1179.1
    n-pentanol 748.87
    sec-butanol 835.48
    n-hexane 183.45
    ethylene glycol 457.43
    NMP 1507.27
    cyclohexane 133.14
    DMSO 3451.86
    n-butyl acetate 437.71
    n-octanol 310.13
    chloroform 1094.85
    n-propyl acetate 472.72
    acetic acid 782.11
    dichloromethane 1234.98
    cyclohexanone 1367.32
    propylene glycol 313.49
    isopropyl acetate 443.98
    DMAc 299.21
    2-ethoxyethanol 1099.95
    isopentanol 574.22
    n-heptane 78.86
    ethyl formate 672.18
    1,2-dichloroethane 1362.45
    n-hexanol 829.22
    2-methoxyethanol 1925.77
    isobutyl acetate 205.68
    tetrachloromethane 208.93
    n-pentyl acetate 292.74
    transcutol 922.3
    n-heptanol 323.97
    ethylbenzene 179.02
    MIBK 460.67
    2-propoxyethanol 1433.42
    tert-butanol 932.0
    MTBE 749.32
    2-butoxyethanol 524.75
    propionic acid 737.13
    o-xylene 151.84
    formic acid 561.81
    diethyl ether 1980.63
    m-xylene 285.27
    p-xylene 162.12
    chlorobenzene 435.68
    dimethyl carbonate 371.38
    n-octane 40.15
    formamide 1057.29
    cyclopentanone 2383.51
    2-pentanone 1139.18
    anisole 421.86
    cyclopentyl methyl ether 1800.9
    gamma-butyrolactone 2517.91
    1-methoxy-2-propanol 1230.73
    pyridine 1233.27
    3-pentanone 648.28
    furfural 888.33
    n-dodecane 28.65
    diethylene glycol 872.08
    diisopropyl ether 309.02
    tert-amyl alcohol 558.67
    acetylacetone 743.17
    n-hexadecane 32.8
    acetophenone 215.84
    methyl propionate 840.06
    isopentyl acetate 268.86
    trichloroethylene 1240.43
    n-nonanol 259.34
    cyclohexanol 683.76
    benzyl alcohol 287.54
    2-ethylhexanol 270.55
    isooctanol 210.32
    dipropyl ether 445.98
    1,2-dichlorobenzene 246.04
    ethyl lactate 168.2
    propylene carbonate 610.42
    n-methylformamide 1793.49
    2-pentanol 635.93
    n-pentane 166.87
    1-propoxy-2-propanol 629.57
    1-methoxy-2-propyl acetate 400.76
    2-(2-methoxypropoxy) propanol 207.11
    mesitylene 142.29
    ε-caprolactone 947.93
    p-cymene 73.13
    epichlorohydrin 2782.63
    1,1,1-trichloroethane 699.01
    2-aminoethanol 828.11
    morpholine-4-carbaldehyde 1308.03
    sulfolane 2145.97
    2,2,4-trimethylpentane 37.71
    2-methyltetrahydrofuran 2747.63
    n-hexyl acetate 425.78
    isooctane 50.63
    2-(2-butoxyethoxy)ethanol 468.42
    sec-butyl acetate 225.87
    tert-butyl acetate 466.99
    decalin 56.0
    glycerin 405.6
    diglyme 737.09
    acrylic acid 546.24
    isopropyl myristate 137.16
    n-butyric acid 774.1
    acetyl acetate 301.17
    di(2-ethylhexyl) phthalate 92.37
    ethyl propionate 426.25
    nitromethane 1833.43
    1,2-diethoxyethane 496.94
    benzonitrile 341.98
    trioctyl phosphate 101.04
    1-bromopropane 911.83
    gamma-valerolactone 2026.34
    n-decanol 194.07
    triethyl phosphate 87.18
    4-methyl-2-pentanol 268.97
    propionitrile 1231.5
    vinylene carbonate 502.01
    1,1,2-trichlorotrifluoroethane 606.88
    DMS 250.18
    cumene 94.4
    2-octanol 218.36
    2-hexanone 593.06
    octyl acetate 200.03
    limonene 116.88
    1,2-dimethoxyethane 1417.89
    ethyl orthosilicate 91.76
    tributyl phosphate 101.02
    diacetone alcohol 551.24
    N,N-dimethylaniline 197.21
    acrylonitrile 1184.79
    aniline 517.67
    1,3-propanediol 1014.95
    bromobenzene 380.16
    dibromomethane 994.37
    1,1,2,2-tetrachloroethane 788.76
    2-methyl-cyclohexyl acetate 159.92
    tetrabutyl urea 129.86
    diisobutyl methanol 134.38
    2-phenylethanol 364.31
    styrene 214.59
    dioctyl adipate 134.11
    dimethyl sulfate 458.03
    ethyl butyrate 227.71
    methyl lactate 300.9
    butyl lactate 161.95
    diethyl carbonate 116.69
    propanediol butyl ether 312.73
    triethyl orthoformate 136.65
    p-tert-butyltoluene 80.7
    methyl 4-tert-butylbenzoate 211.06
    morpholine 3919.18
    tert-butylamine 544.49
    n-dodecanol 142.16
    dimethoxymethane 1921.52
    ethylene carbonate 494.94
    cyrene 234.6
    2-ethoxyethyl acetate 379.93
    2-ethylhexyl acetate 208.9
    1,2,4-trichlorobenzene 241.7
    4-methylpyridine 915.81
    dibutyl ether 275.44
    2,6-dimethyl-4-heptanol 134.38
    DEF 752.21
    dimethyl isosorbide 421.44
    tetrachloroethylene 537.49
    eugenol 224.84
    triacetin 166.1
    span 80 234.47
    1,4-butanediol 373.36
    1,1-dichloroethane 1093.0
    2-methyl-1-pentanol 369.14
    methyl formate 1207.03
    2-methyl-1-butanol 547.55
    n-decane 49.19
    butyronitrile 1076.86
    3,7-dimethyl-1-octanol 182.61
    1-chlorooctane 188.52
    1-chlorotetradecane 70.42
    n-nonane 50.53
    undecane 36.67
    tert-butylcyclohexane 57.88
    cyclooctane 51.09
    cyclopentanol 1112.2
    tetrahydropyran 3256.25
    tert-amyl methyl ether 443.97
    2,5,8-trioxanonane 408.79
    1-hexene 519.94
    2-isopropoxyethanol 589.77
    2,2,2-trifluoroethanol 286.29
    methyl butyrate 483.28

    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