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Cas Database |
| Name |
3-Isopropyltoluene |
EINECS | N/A |
| CAS No. | 535-77-3 | Density | 0.861 g/mL at 25 °C(lit.) |
| PSA | 0.00000 | LogP | 3.11840 |
| Solubility | N/A | Melting Point |
−64 °C(lit.) |
| Formula | C10H14 | Boiling Point |
175 °C(lit.) |
| Molecular Weight | 134.221 | Flash Point | 47 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | R10 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
m-Cymene(8CI); 1-Isopropyl-3-methylbenzene; 1-Methyl-3-(1-methylethyl)benzene;1-Methyl-3-isopropylbenzene; 3-Isopropyltoluene; NSC 73975; m-Cymol;m-Isopropyltoluene; m-Methylisopropylbenzene; b-Cymene |
Article Data | 114 |
3-Isopropyltoluene Chemical Properties
Chemistry informtion about 3-Isopropyltoluene (CAS NO.535-77-3) is:
IUPAC Name: 1-Methyl-3-Propan-2-Ylbenzene
Synonyms: 1-Methyl-3-(1-Methylethyl)-Benzen ; 1-Methyl-3-(1-Methylethyl)Benzene ; 1-Methyl-3-(1-Methylethyl)-Benzene ; 3-Methyl-1-Isopropylbenzene ; Benzene, 1-Methyl-3-(1-Methylethyl)- ; Benzene,1-Methyl-3-(1-Methylethyl)- ; Beta-Cymene ; M-Cymol
MF: C10H14
MW: 134.22
EINECS: 208-617-9
Density: 0.861 g/cm3
Melting Point: −64 °C(lit.)
Flash Point: 47.8 °C
Boiling Point: 175.1 °C at 760 mmHg
Vapour Pressure: 1.57 mmHg at 25°C
Enthalpy of Vaporization: 39.45 kJ/mol
Refractive Index: n20/D 1.492(lit.)
Merck: 2763
Following is the molecular structure of 3-Isopropyltoluene (CAS NO.535-77-3) is:
3-Isopropyltoluene Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 12gm/m3 (12000mg/m3) | behavioral: convulsions or effect on seizure threshold behavioral: muscle weakness | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(12), Pg. 57, 1986. |
| mouse | LD50 | intraperitoneal | 1198mg/kg (1198mg/kg) | behavioral: convulsions or effect on seizure threshold behavioral: muscle weakness | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(12), Pg. 57, 1986. |
| mouse | LD50 | oral | 3272mg/kg (3272mg/kg) | behavioral: convulsions or effect on seizure threshold behavioral: muscle weakness | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(12), Pg. 57, 1986. |
| rat | LD50 | oral | 2970mg/kg (2970mg/kg) | behavioral: convulsions or effect on seizure threshold behavioral: muscle weakness | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(12), Pg. 57, 1986. |
3-Isopropyltoluene Consensus Reports
Reported in EPA TSCA Inventory.
3-Isopropyltoluene Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Statements:
R10:Flammable.
RIDADR: UN 2046 3/PG 3
WGK Germany: 2
RTECS: DA6127310
HazardClass: 3.2
PackingGroup: III
3-Isopropyltoluene Analytical Methods
3-Isopropyltoluene (CAS NO.535-77-3) has been prepared from the Grignard reagent of m-bromotoluene and acetone followed by conversion of the carbinol to the chloride and reduction with sodium in liquid ammonia. It also has been prepared from m-toluoyl chloride and excess methylmagnesium bromide followed by catalytic reduction of the olefin formed. The best set of physical properties for the isomeric cymenes appears to be that of Birch and co-workers.4 Many examples of Friedel-Crafts alkylation of toluene with propylene are described; apparently the best of them gives a 90% yield of cymenes containing 65–70% 3-Isopropyltoluene.
3-Isopropyltoluene Specification
To protect yourself, you can put on eyeshields, faceshields, full-face respirator (US), gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter.
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