1,2,3,5-tetramethyl benzene
benzene, 1,2,3,5-tetramethyl-
Identification
| Name | 1,2,3,5-tetramethyl benzene |
| IUPAC | 1,2,3,5-tetramethylbenzene |
| CAS Number | 527-53-7 |
| EINECS | 208-417-1 |
| FDA UNII | 0JBI5Y5A5Z |
| Molecular Formula | C10 H14 |
| Molecular Weight | 134.22158000 |
| MDL Number | MFCD00008524 |
| Nikkaji Number | J6.670B |
| Beilstein | 1904391 |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.89100 @ 25.00 °C. |
| Boiling Point | 198.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.498000 mmHg @ 25.00 °C. |
| Flash Point | 146.00 °F. TCC ( 63.33 °C. ) |
| logP (o/w) | 4.100 |
| Soluble in | water, 27.88 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for 1,2,3,5-tetramethyl benzene usage levels up to | not for fragrance use. |
| Recommendation for 1,2,3,5-tetramethyl benzene flavor usage levels up to | not for flavor use. |
Potential Uses
Natural Occurrence
Synonyms
benzene, 1,2,3,5-tetramethyl-
iso
durene
1,2,3,5-
tetramethylbenzene
PubMed:
Analysis of polycyclic aromatic hydrocarbons using desorption atmospheric pressure chemical ionization coupled to a portable mass spectrometer.
PubMed:
Transition from charge-transfer to largely locally excited exciplexes, from structureless to vibrationally structured emissions.
PubMed:
The impact of weak C-H...Rh interactions on the structure and reactivity of trans-[Rh(CO)2(phosphine)2]+: an experimental and theoretical examination.
PubMed:
Solvent and spectral effects in the ultrafast charge recombination dynamics of excited donor-acceptor complexes.
PubMed:
Solvent-dependent interconversions between Rh(I), Rh(II), and Rh(III) complexes of an aryl-monophosphine ligand.
PubMed:
Role of intermolecular coupling in the photophysics of disordered organic semiconductors: aggregate emission in regioregular polythiophene.
PubMed:
Physiologically-based toxicokinetic modeling of durene (1,2,3,5-tetramethylbenzene) and isodurene (1,2,4,5-tetramethylbenzene) in humans.
PubMed:
Adsorption of single-ring organic compounds to wood charcoals prepared under different thermochemical conditions.
PubMed:
Theoretical study of the methylbenzene side-chain hydrocarbon pool mechanism in methanol to olefin catalysis.
PubMed:
Sonochemical preparation of supported hydrodesulfurization catalysts.
PubMed:
A molecular and carbon isotopic study towards the origin and diagenetic fate of diaromatic carotenoids.
PubMed:
Acute toxicity of tetramethylbenzenes: durene, isodurene and prehnitene.