CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 329-349 °F |
| Melting Point | -77 - (-)14 °F |
| Flash Point | 44 to 53 °C (closed cup) |
| Density | 0.86-0.89 |
| Vapor Pressure | varies |
| Autoignition Temperature | 470 to 550 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Ionization Potential | 8.27-8.48 eV |
| Kovats Retention Index | 1005.7 1005.7 1012.4 1008.2 1027.65 979.7 1009 1004.87 1005.04 1005 1004.77 1008.9 1002.62 1005.67 997.82 1004 1001.05 1015.8 1006.85 1022.4 1010 1001 1002 1014 1014 1014.9 1021.9 1016 1016 1016 1016 1010 1013 1013 1016 1017 1000 999.9 1006 1009 1029 1016 1023 1031 1004 1015.9 1022.8 1031.2 1033 1005.2 1015 1009 1014 1022 1007.1 1006 1025.1 1014.5 972.3 988.7 1000.9 1002.3 1025.4 975.4 1000 1016 1019 1007.9 1005 1000 1006.2 1007 1006 1011 1011 1003 1016 1016 1016 1023 1023 1016 1000 981 1010 1014.6 1020.5 1021.9 1022.9 1004 1006 1009 1011 1010 1007 1020 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 120.19 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 120.093900383 g/mol |
| Monoisotopic Mass | 120.093900383 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 76 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1,2,3-trimethylbenzene is a trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea. It has a role as a neurotoxin and a plant metabolite.