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| CAS No.: | 6094-02-6 |
|---|---|
| Name: | 2-METHYL-1-HEXENE |
| Article Data: | 45 |
| Molecular Structure: | |
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|
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| Formula: | C7H14 |
| Molecular Weight: | 98.1882 |
| Synonyms: | 2-Methyl-1-hexene;NSC 73924; |
| EINECS: | 228-041-1 |
| Density: | 0.706 g/cm3 |
| Melting Point: | -102.87°C |
| Boiling Point: | 90.9 °C at 760 mmHg |
| Flash Point: | 20 °F |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 F,  Xn
|
| Risk Codes: | 11-65 |
| Safety: | 16-62 |
| Transport Information: | UN 2287 |
| PSA: | 0.00000 |
| LogP: | 2.75270 |
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Specification
The 1-Hexene, 2-methyl-, with the CAS registry number of 6094-02-6, is also known as 2-Methyl-1-hexene. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks. Its EINECS registry number is 228-041-1. This chemical's molecular formula is C7H14 and molecular weight is 98.19. What's more, its IUPAC name is 2-Methylhex-1-ene. Besides, 1-Hexene, 2-methyl- should be stored at flammables area.
Physical properties about 1-Hexene, 2-methyl- are: (1)ACD/LogP: 3.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.99; (4)ACD/LogD (pH 7.4): 3.99; (5)ACD/BCF (pH 5.5): 629.8; (6)ACD/BCF (pH 7.4): 629.8; (7)ACD/KOC (pH 5.5): 3509.72; (8)ACD/KOC (pH 7.4): 3509.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.404; (14)Molar Refractivity: 34.04 cm3; (15)Molar Volume: 138.9 cm3; (16)Surface Tension: 20.5 dyne/cm; (17)Density: 0.706 g/cm3; (18)Enthalpy of Vaporization: 31.72 kJ/mol; (19)Boiling Point: 90.9 °C at 760 mmHg; (20)Vapour Pressure: 62.2 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 1, 1, 3-Trichloro-3-methyl-heptane. The reaction needs reagent (PCy3)2Cl2RuCHPh. The reaction time is 12 hours with reaction temperature of 65 °C. The yield is about 63 %.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause lung damage if swallowed. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. Besides, this chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: C=C(/C)CCCC
(2) InChI: InChI=1/C7H14/c1-4-5-6-7(2)3/h2,4-6H2,1,3H3
(3) InChIKey: IRUDSQHLKGNCGF-UHFFFAOYAD