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Cas Database |
| Name |
4-Isopropyltoluene |
EINECS | 202-796-7 |
| CAS No. | 99-87-6 | Density | 0.861 g/cm3 |
| PSA | 0.00000 | LogP | 3.11840 |
| Solubility | practically insoluble in water | Melting Point |
-68 °C |
| Formula | C10H14 | Boiling Point | 173.9 °C at 760 mmHg |
| Molecular Weight | 134.221 | Flash Point | 47.2 °C |
| Transport Information | UN 2046 3/PG 3 | Appearance | colourless liquid with a characteristic odour |
| Safety | 26-36 | Risk Codes | 10-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
p-Cymene(8CI);1-Isopropyl-4-methylbenzene;1-Methyl-4-(1-methylethyl)benzene;1-Methyl-4-isopropylbenzene;2-p-Tolylpropane;4-Cymene;4-Isopropyl-1-methylbenzene;4-Methylisopropylbenzene;Camphogen;Dolcymene;NSC 4162;p-Cymol;p-Isopropyltoluene;p-Methylcumene;p-Methylisopropylbenzene; |
Article Data | 646 |
4-Isopropyltoluene Chemical Properties
The Molecular Structure of 4-Isopropyltoluene (CAS NO.99-87-6):
Empirical Formula: C10H14
Molecular Weight: 134.2182
IUPAC Name: 1-methyl-4-propan-2-ylbenzene
Appearance: colourless liquid with a characteristic odour
Nominal Mass: 134 Da
Average Mass: 134.2182 Da
Monoisotopic Mass: 134.10955 Da
Index of Refraction: 1.492
Molar Refractivity: 45.26 cm3
Molar Volume: 155.7 cm3
Surface Tension: 28.5 dyne/cm
Density: 0.861 g/cm3
Flash Point: 47.2 °C
Enthalpy of Vaporization: 39.34 kJ/mol
Boiling Point: 173.9 °C at 760 mmHg
Vapour Pressure: 1.65 mmHg at 25°C
Storage temp: Flammables area
Water Solubility: PRACTICALLY INSOLUBLE
Stability: Stable.Flammable.Incompatible with strong oxidizing agents, strong acids, strong bases
InChI
InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Smiles
c1(C(C)C)ccc(C)cc1
Synonyms: 4-Cymene ; 4-Methylisopropylbenzene ; 4-Isopropyltoluene ; 1-Methyl-4-isopropylbenzene ; 1-Isopropyl-4-methylbenzene ; Dolcymene ; cymene, 4- ; Cymene para
Product Categories: Analytical Chemistry;Standard Solution of Volatile Organic Compounds for Water & Soil Analysis;Standard Solutions (VOC)
4-Isopropyltoluene Uses
4-Isopropyltoluene (CAS NO.99-87-6) is a constituent of a number of essential oils, most commonly the oil of cumin and thyme.
4-Isopropyltoluene Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 12 (1974),401. | ||
| 2. | orl-rat LD50:4750 mg/kg | FCTXAV Food and Cosmetics Toxicology. 2 (1964),327. |
Mildly toxic by ingestion. Humans sustain central nervous system effects at low doses. A skin irritant. Flammable liquid. Explosion Hazard: Slight in the form of vapor. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes.
4-Isopropyltoluene Consensus Reports
Reported in EPA TSCA Inventory.
4-Isopropyltoluene Safety Profile
Hazard Codes: 
Xi
Risk Statements: 10-36/37/38
R10: Flammable
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
RIDADR: UN 2046 3/PG 3
WGK Germany: 2
RTECS: GZ5950000
HazardClass: 3
PackingGroup: III
4-Isopropyltoluene Specification
There are two less common geometric isomers of cymene : o-Cymene , in which the alkyl groups are ortho-substituted, and m-cymene , in which they are meta-substituted . p-Cymene is the only natural isomer.
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