95-63-6
Product Name:
1,2,4-Trimethylbenzene
Formula:
C9H12
Synonyms:
1,2,4-Trimethylbenzene;Pseudocumene;Pseudocumol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1,2,4-trimethylbenzene appears as a liquid. Flash point near 130 °F. Less dense than water and insoluble in water. Vapors irritate eyes, throat, and nose. Used in dyes and pharmaceuticals. |
|---|---|
| Color/Form | Clear, colorless liquid |
| Odor | Distinctive, aromatic odor |
| Boiling Point | 334.4 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -47.2 °F (USCG, 1999) |
| Flash Point | 111 °F (USCG, 1999) |
| Solubility | 0.006 % (NIOSH, 2023) |
| Density | 0.889 (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 4.15 (Air = 1) |
| Vapor Pressure | 4.9 mmHg (USCG, 1999) |
| LogP | log Kow = 3.78 |
| Henry's Law Constant | Henry's Law constant = 6.16X10-3 atm-cu m/mol at 25 °C |
| Autoignition Temperature | 932 °F (USCG, 1999) |
| Heat of Combustion | 5194.8 kJ/mol at 25 °C |
| Heat of Vaporization | 39.2 kJ/mol at boiling point |
| Surface Tension | 29.71 dyn/cm at 20 °C |
| Ionization Potential | 8.27 eV |
| Refractive Index | Index of refraction: 1.5048 at 20 °C/D |
| Kovats Retention Index | 978.4 978.4 981 988 984.7 979.3 1001.97 982 978 978.78 980.8 979 1012 978.53 973.2 973.6 979.4 980.6 972.82 976.75 978.96 977 969.9 975.3 976.05 990.1 983.2 1006 1006 1006 995 1004.2 1013.4 983 975 975 986 986 986.9 987.3 987.9 988 976.2 980.5 987 993 987 987 987 987 987 988 983 986 986 988 989 975.6 976 977.5 1000 984 1001 988 994 977 1001.3 988.4 994.1 980 974.9 986 983 986 1021 1001 991 975.6 1021 973 978 994 1015 985.6 974 984 976.7 984 980.4 976 988 990 983.2 980.24 981 976 981.8 989.1 984 984 973 976 984 1012 978 988 978 988 978 956 956 957 988 989 994 994 987 971 975 976 956 984 978 979 971 978 975 977 978 979 992 1000 994 |
| Other Experimental Properties | Specific gravity: 0.8761 at 20 degC/4 °C |
| Chemical Classes | Solvents -> Aromatic Solvents |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H226:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. 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 |
| 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 | 86 |
| 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
1,2,4-trimethylbenzene appears as a liquid. Flash point near 130 °F. Less dense than water and insoluble in water. Vapors irritate eyes, throat, and nose. Used in dyes and pharmaceuticals.