1,3,5-Trimethylbenzene

  • Identifiers

    CAS mumber
    108-67-8

    Molecular formula
    C9H12

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

    Retention indicies (RI)

    • DB5: 994.0
    • Carbowax: 1221.0

  • Properties

    XLogP3-AA
    3.4 Well soluble in BB, DEP, MMB

    Molecular weight
    120.19 g/mol

    Melting points

    • -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 points

    • 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 points

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

    Solubilities

    • 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
1 3

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%