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CAS No.: | 2234-20-0 |
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Name: | 2,4-DIMETHYLSTYRENE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C10H12 |
Molecular Weight: | 132.205 |
Synonyms: | 2,4-Dimethyl-styren; |
EINECS: | 218-781-3 |
Density: | 0.893 g/cm3 |
Melting Point: | ?64 °C(lit.) |
Boiling Point: | 196.7 °C at 760 mmHg |
Flash Point: | 60 °C |
Appearance: | clear colorless liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN 3295 |
PSA: | 0.00000 |
LogP: | 2.94640 |
The Benzene,1-ethenyl-2,4-dimethyl-, with the CAS registry number of 2234-20-0, is also known as 2,4-Dimethyl-styren. It belongs to the product categories of Styrenes; Monomers; Polymer Science; Styrene and Functionalized Styrene Monomers. Its EINECS registry number is 218-781-3. This chemical's molecular formula is C10H12 and molecular weight is 132.2. What's more, its IUPAC name is 1-Ethenyl-2,4-dimethylbenzene. In addition, it must be stored in airtight containers. Meanwhile, it should be avoided contact with light.
Physical properties about the Benzene,1-ethenyl-2,4-dimethyl- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 331.96; (6)ACD/BCF (pH 7.4): 331.96; (7)ACD/KOC (pH 5.5): 2219.21; (8)ACD/KOC (pH 7.4): 2219.21; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 46.82 cm3; (15)Molar Volume: 147.9 cm3; (16)Surface Tension: 30.4 dyne/cm; (17)Density: 0.893 g/cm3; (18)Flash Point: 60 °C; (19)Enthalpy of Vaporization: 41.52 kJ/mol; (20)Boiling Point: 196.7 °C at 760 mmHg; (21)Vapour Pressure: 0.554 mmHg at 25 °C.
Preparation: this chemical is prepared by 2,4-Dimethyl-1-[(E)-2-trimethylsilylethenyl]benzene. The reaction needs reagent CF3CO2H and solvent Diethyl ether. The reaction temperature is -78 - 20 °C. The yield is about 86 %.
Uses: it is used to produce other chemicals. For example, it is used to produce (R)-1-(2,4-Dimethylphenyl)-1,2-ethanediol. This reaction needs reagents K3Fe(CN)6 and K2CO3. Meanwhile, it needs solvent 2-Methyl-propan-2-ol and H2O. The reaction time is 12 h with reaction temperature of 0 °C. The yield is about 85 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: C=C\c1ccc(cc1C)C
(2) InChI: InChI=1/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3
(3) InChIKey: OEVVKKAVYQFQNV-UHFFFAOYAX
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LDLo | oral | 5gm/kg (5000mg/kg) | "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 58, 1960. |