Mesitylene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    108-67-8

    Molecular formula
    C9H12

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 994.0
    • Carbowax: 1221.0

  • Odor profile

    Woody 58.78%
    Green 52.97%
    Leathery 37.55%
    Animal 37.19%
    Earthy 35.49%
    Phenolic 35.35%
    Spicy 32.02%
    Floral 31.92%
    Dry 31.35%
    Tobacco 31.27%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 2.0 [mmHg]. Odor threshold (recognition) from CHEMINFO

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    120.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -49 °F (NIOSH, 2024)
    • -44.8 °C
    • Liquid Molar Volume= 0.139524 cu m/kmol; IG Heat of Formation= -1.59X10+7 J/kmol; Heat of Fusion at the melting point= 9.5144X10+6 J/kmol
    • -44.7 °C
    • -45 °C
    • -49 °F

    Boiling point

    • 329 °F at 760 mmHg (NIOSH, 2024)
    • 164.7 °C at 760 mm Hg
    • Boiling point = 98.9 °C at 100 mm Hg, 61 °C at 20 mm Hg, 47.4 °C at 10 mm Hg, and 9.6 °C at 1.0 mm Hg
    • 164.00 to 165.00 °C. @ 760.00 mm Hg
    • 165 °C
    • 329 °F

    Flash point est.
    42.34 ˚C

    Flash point expt.

    • 122 °F (NIOSH, 2024)
    • 122 °F (50 °C) (Closed cup)
    • 50 °C c.c.
    • 122 °F

    Solubility expt.

    • 0.002 % (NIOSH, 2024)
    • Miscible with alcohol, ether, benzene
    • Miscible in ethanol, ethyl ether, acetone
    • Miscible with oxygenated and aromatic solvents.
    • In water, 48.2 mg/L at 25 °C
    • 0.0482 mg/mL at 25 °C
    • Solubility in water: very poor
    • 0.002%

  • Synonyms

    • MESITYLENE
    • 1,3,5-Trimethylbenzene
    • 108-67-8
    • sym-Trimethylbenzene
    • 3,5-Dimethyltoluene
    • Fleet-X
    • Trimethylbenzol
    • Benzene, 1,3,5-trimethyl-
    • s-Trimethylbenzene
    • 2,4,6-trimethylbenzene
    • NSC 9273
    • Trimethylbenzene, 1,3,5-
    • HSDB 92
    • 1,3,5-trimethyl-benzene
    • EINECS 203-604-4
    • UNII-887L18KQ6X
    • CCRIS 8147
    • DTXSID6026797
    • CHEBI:34833
    • AI3-23973
    • 887L18KQ6X
    • NSC-9273
    • DTXCID506797
    • EC 203-604-4
    • CAS-108-67-8
    • UN2325
    • Symmetrical trimethylbenzene
    • Mesitylene, 98%
    • MFCD00008538
    • MESITELENE
    • MESITYLENE [MI]
    • MESITYLENE [HSDB]
    • 1,3, 5-Trimethylbenzene
    • (3,5-dimethylphenyl)methyl
    • BIDD:ER0286
    • Mesitylene (ACD/Name 4.0)
    • Mesitylene, analytical standard
    • CHEMBL1797281
    • WLN: 1R C1 E1
    • Mesitylene, reagent grade, 97%
    • NSC9273
    • BENZENE,1,3,5-TRIMETHYL
    • DTXSID601311725
    • STR03436
    • Tox21_201452
    • Tox21_300341
    • STL268905
    • 1,3,5-Trimethylbenzene (Mesitylene)
    • AKOS000120144
    • Mesitylene, purum, >=98.0% (GC)
    • UN 2325
    • NCGC00247999-01
    • NCGC00247999-02
    • NCGC00254430-01
    • NCGC00259003-01
    • NS00004224
    • S0658
    • T0470
    • EN300-19371
    • A801911
    • Q425161
    • 1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]
    • F0001-0175
    • Mesitylene, certified reference material, TraceCERT(R)
    • Z104473654
    • InChI=1/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H
    • 19121-63-2
    • 203-604-4

  • Applications

    Mesitylene (1,3,5-trimethylbenzene; CAS 108-67-8) is widely used as a high-boiling, nonpolar aromatic solvent for hydrophobic resins and polymers, specialty coatings and inks, organic electronic inks and thin-film processing (e.g., solution deposition/spin coating of OLED/OPV materials), and as a thermally robust diluent and heat-transfer medium for reactions requiring temperatures beyond toluene/xylene ranges; as an intermediate, mesitylene is oxidized to benzene-1,3,5-tricarboxylic acid (trimesic acid) for MOFs and specialty resins; nitrated then reduced to 2,4,6-trimethylaniline for dyes and pharma/agrochemical building blocks; hydroxylated to 2,4,6-trimethylphenol (mesitol) used as antioxidants and UV stabilizers; and benzylicly halogenated to mesityl halides feeding Grignard/organometallic reagents and cross-coupling chemistry; the mesityl group derived from mesitylene also serves as a bulky ligand to stabilize reactive main-group and transition-metal complexes (e.g., BMes3, AlMes3) in catalysis and materials synthesis; in energy applications, trimethylbenzenes (including mesitylene) are high-octane gasoline blending components and are used in combustion and emissions research, and mesitylene functions as a higher flash-point solvent in liquid scintillation cocktails for radiation detection; additional uses include acting as a process solvent or carrier in advanced materials manufacturing where low polarity, strong solvency for aromatics, and chemical stability at elevated temperature are required.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 627.73
    methanol 571.17
    isopropanol 479.07
    water 1.03
    ethyl acetate 1522.93
    n-propanol 627.79
    acetone 1372.32
    n-butanol 755.25
    acetonitrile 921.5
    DMF 814.26
    toluene 1554.89
    isobutanol 545.15
    1,4-dioxane 2513.88
    methyl acetate 1135.84
    THF 4532.35
    2-butanone 1148.7
    n-pentanol 534.81
    sec-butanol 572.98
    n-hexane 2149.87
    ethylene glycol 77.62
    NMP 1730.74
    cyclohexane 2517.41
    DMSO 654.61
    n-butyl acetate 1720.89
    n-octanol 567.64
    chloroform 2400.06
    n-propyl acetate 819.07
    acetic acid 495.32
    dichloromethane 2284.81
    cyclohexanone 2372.42
    propylene glycol 103.94
    isopropyl acetate 996.92
    DMAc 752.31
    2-ethoxyethanol 437.79
    isopentanol 659.03
    n-heptane 1734.77
    ethyl formate 652.48
    1,2-dichloroethane 1679.24
    n-hexanol 1576.14
    2-methoxyethanol 630.33
    isobutyl acetate 597.99
    tetrachloromethane 832.94
    n-pentyl acetate 748.63
    transcutol 1026.42
    n-heptanol 521.78
    ethylbenzene 709.93
    MIBK 862.45
    2-propoxyethanol 1328.89
    tert-butanol 692.32
    MTBE 1401.81
    2-butoxyethanol 510.4
    propionic acid 508.81
    o-xylene 789.57
    formic acid 113.77
    diethyl ether 2456.41
    m-xylene 1036.97
    p-xylene 827.64
    chlorobenzene 1154.08
    dimethyl carbonate 508.0
    n-octane 502.99
    formamide 163.7
    cyclopentanone 2641.03
    2-pentanone 1365.38
    anisole 738.88
    cyclopentyl methyl ether 3353.2
    gamma-butyrolactone 2469.19
    1-methoxy-2-propanol 575.19
    pyridine 1349.05
    3-pentanone 1311.69
    furfural 1107.85
    n-dodecane 244.42
    diethylene glycol 456.25
    diisopropyl ether 1137.94
    tert-amyl alcohol 669.42
    acetylacetone 1119.75
    n-hexadecane 285.44
    acetophenone 524.58
    methyl propionate 1166.54
    isopentyl acetate 1325.82
    trichloroethylene 1994.55
    n-nonanol 495.67
    cyclohexanol 1240.8
    benzyl alcohol 345.07
    2-ethylhexanol 1268.95
    isooctanol 432.45
    dipropyl ether 2521.52
    1,2-dichlorobenzene 816.63
    ethyl lactate 243.96
    propylene carbonate 1258.73
    n-methylformamide 444.55
    2-pentanol 687.78
    n-pentane 1269.96
    1-propoxy-2-propanol 1097.78
    1-methoxy-2-propyl acetate 1147.72
    2-(2-methoxypropoxy) propanol 392.42
    mesitylene 708.63
    ε-caprolactone 1735.81
    p-cymene 571.13
    epichlorohydrin 2061.3
    1,1,1-trichloroethane 1764.71
    2-aminoethanol 168.5
    morpholine-4-carbaldehyde 1242.88
    sulfolane 1999.37
    2,2,4-trimethylpentane 440.85
    2-methyltetrahydrofuran 3431.07
    n-hexyl acetate 1099.09
    isooctane 401.92
    2-(2-butoxyethoxy)ethanol 538.29
    sec-butyl acetate 631.46
    tert-butyl acetate 1099.67
    decalin 714.93
    glycerin 124.17
    diglyme 1029.26
    acrylic acid 365.78
    isopropyl myristate 521.36
    n-butyric acid 817.01
    acetyl acetate 861.48
    di(2-ethylhexyl) phthalate 282.64
    ethyl propionate 844.79
    nitromethane 803.32
    1,2-diethoxyethane 1230.18
    benzonitrile 562.46
    trioctyl phosphate 274.92
    1-bromopropane 1729.77
    gamma-valerolactone 1909.94
    n-decanol 379.07
    triethyl phosphate 418.34
    4-methyl-2-pentanol 415.76
    propionitrile 785.86
    vinylene carbonate 913.62
    1,1,2-trichlorotrifluoroethane 656.95
    DMS 739.94
    cumene 455.59
    2-octanol 415.5
    2-hexanone 938.87
    octyl acetate 611.16
    limonene 1157.99
    1,2-dimethoxyethane 1159.6
    ethyl orthosilicate 456.05
    tributyl phosphate 357.05
    diacetone alcohol 669.3
    N,N-dimethylaniline 527.01
    acrylonitrile 621.85
    aniline 761.44
    1,3-propanediol 282.62
    bromobenzene 1320.65
    dibromomethane 2108.38
    1,1,2,2-tetrachloroethane 1524.5
    2-methyl-cyclohexyl acetate 835.73
    tetrabutyl urea 431.53
    diisobutyl methanol 646.21
    2-phenylethanol 590.88
    styrene 736.28
    dioctyl adipate 494.12
    dimethyl sulfate 526.61
    ethyl butyrate 1160.37
    methyl lactate 285.78
    butyl lactate 348.08
    diethyl carbonate 604.67
    propanediol butyl ether 275.87
    triethyl orthoformate 782.54
    p-tert-butyltoluene 574.93
    methyl 4-tert-butylbenzoate 536.08
    morpholine 2155.15
    tert-butylamine 688.43
    n-dodecanol 314.68
    dimethoxymethane 1198.69
    ethylene carbonate 970.18
    cyrene 368.66
    2-ethoxyethyl acetate 707.98
    2-ethylhexyl acetate 1303.13
    1,2,4-trichlorobenzene 810.73
    4-methylpyridine 1447.77
    dibutyl ether 1285.97
    2,6-dimethyl-4-heptanol 646.21
    DEF 1211.02
    dimethyl isosorbide 920.62
    tetrachloroethylene 1202.24
    eugenol 350.08
    triacetin 541.28
    span 80 436.68
    1,4-butanediol 125.51
    1,1-dichloroethane 1577.71
    2-methyl-1-pentanol 520.5
    methyl formate 479.43
    2-methyl-1-butanol 655.75
    n-decane 453.5
    butyronitrile 961.6
    3,7-dimethyl-1-octanol 556.58
    1-chlorooctane 846.27
    1-chlorotetradecane 366.41
    n-nonane 552.64
    undecane 311.87
    tert-butylcyclohexane 666.6
    cyclooctane 1252.53
    cyclopentanol 1111.94
    tetrahydropyran 3578.75
    tert-amyl methyl ether 1255.68
    2,5,8-trioxanonane 641.65
    1-hexene 2141.81
    2-isopropoxyethanol 388.02
    2,2,2-trifluoroethanol 190.89
    methyl butyrate 933.81

    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

Botanical

Name CAS Botanical Proportion
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.03%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 3.35%
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.9%
Artemisia judaica (Egypt) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.32%
Artemisia judaica (Egypt) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.47%
Bupleurum gibraltarium (Spain) Bupleurum gibraltarium Lam., fam. Apiaceae (Umbelliferae) 0.3%
Artemisia barrelieri Artemisia barrelieri Besser, fam. Asteraceae (Compositae) 1.2%
Alstonia scholaris Alstonia scholaris (L.) R.Br., fam. Apocynaceae 4.1%