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| CAS No.: | 107-40-4 |
|---|---|
| Name: | 2,4,4-Trimethyl-2-pentene |
| Article Data: | 113 |
| Molecular Structure: | |
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| Formula: | C8H16 |
| Molecular Weight: | 112.215 |
| Synonyms: | 2,2,4-Trimethyl-3-pentene;2,4,4-Trimethyl-2-pentene;Propene, 1-tert-butyl-2-methyl-; |
| EINECS: | 203-488-5 |
| Density: | 0.728 g/cm3 |
| Melting Point: | -106 °C |
| Boiling Point: | 104.9 °C at 760 mmHg |
| Flash Point: | 29 °F |
| Appearance: | clear, colorless Liquid |
| Hazard Symbols: |
 F Xi N Xn
|
| Risk Codes: | 11-36/37/38-51/53-65 |
| Safety: | 9-16-29-33-61 |
| Transport Information: | UN 2050 |
| PSA: | 0.00000 |
| LogP: | 2.99870 |
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Specification
This chemical is called 2-Pentene,2,4,4-trimethyl-, and its systematic name is 2,4,4-Trimethylpent-2-ene. With the molecular formula of C8H16, its molecular weight is 112.21. The CAS registry number of the chemical is 107-40-4.
Other characteristics of 2-Pentene,2,4,4-trimethyl- can be summarised as followings: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.14; (4)ACD/LogD (pH 7.4): 4.14; (5)ACD/BCF (pH 5.5): 829.35; (6)ACD/BCF (pH 7.4): 829.35; (7)ACD/KOC (pH 5.5): 4274; (8)ACD/KOC (pH 7.4): 4274; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.419; (13)Molar Refractivity: 38.97 cm3; (14)Molar Volume: 154 cm3; (15)Polarizability: 15.45×10-24cm3; (16)Surface Tension: 20.7 dyne/cm; (17)Density: 0.728 g/cm3; (18)Enthalpy of Vaporization: 32.97 kJ/mol; (19)Boiling Point: 104.9 °C at 760 mmHg; (20)Vapour Pressure: 35.1 mmHg at 25°C.
Production method of this chemical: The 2-Pentene,2,4,4-trimethyl- could be obtained by the reactant of 2-Methyl-propene. This reaction needs the reagent of Ferrierite/Alumina. The yield is 94.5 %. In addition, this reaction should be taken at the temperature of 99.9 °C.
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Uses of this chemical: The 2-Pentene,2,4,4-trimethyl- could react with Phenylphosphonous acid dichloride to obtain the 2,2,3r,4,4-Pentamethyl-1-phenyl-phosphetane 1c-oxide. The yield is 46 %.
When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable, so keep away from sources of ignition. It is irritating to eyes, respiratory system and skin, may cause lung damage if swallowed. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so do not empty into drains. Avoid releasing to the environment. Refer to special instructions / safety data sheets. Keep container in a well-ventilated place. Take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
1.SMILES: C(=C\C(C)(C)C)(\C)C
2.InChI: InChI=1/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3
3.InChIKey: LAAVYEUJEMRIGF-UHFFFAOYAG
4.Std. InChI: InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3
5.Std. InChIKey: LAAVYEUJEMRIGF-UHFFFAOYSA-N