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| CAS No.: | 673-84-7 |
|---|---|
| Name: | 2,6-DIMETHYL-2,4,6-OCTATRIENE |
| Molecular Structure: | |
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|
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| Formula: | C10H16 |
| Molecular Weight: | 136.237 |
| Synonyms: | Alloocimene(6CI);2,6-Dimethyl-2,4,6-octatriene;NSC 406263;allo-Ocimene; |
| EINECS: | 211-614-5 |
| Density: | 0.811 g/mL at 25 °C(lit.) |
| Melting Point: | -25.5°C |
| Boiling Point: | 73-75 °C14 mm Hg(lit.) |
| Flash Point: | 51.8 °C |
| Solubility: | Soluble in organic solvents, insoluble in water. |
| Appearance: | Clear colourless to slightly yellowish liquid. |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 23-24/25 |
| PSA: | 0.00000 |
| LogP: | 3.47500 |
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Specification
The 2,4,6-Octatriene,2,6-dimethyl-, also known as Alloocimene, is an organic compound with the formula C10H16. It belongs to the product categories of Acyclic Monoterpenes; Biochemistry; Terpenes. Its EINECS registry number is 211-614-5. With the CAS registry number 673-84-7, its IUPAC name is 2,6-dimethylocta-2,4,6-triene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from oxides.
Physical properties of 2,4,6-Octatriene,2,6-dimethyl-: (1)ACD/LogP: 4.56; (2)ACD/LogD (pH 5.5): 4.56; (3)ACD/LogD (pH 7.4): 4.56; (4)ACD/BCF (pH 5.5): 1708; (5)ACD/BCF (pH 7.4): 1708; (6)ACD/KOC (pH 5.5): 7168.24; (7)ACD/KOC (pH 7.4): 7168.24; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.466; (10)Molar Refractivity: 48.23 cm3; (11)Molar Volume: 174 cm3; (12)Surface Tension: 23.6 dyne/cm; (13)Density: 0.782 g/cm3; (14)Flash Point: 51.8 °C; (15)Enthalpy of Vaporization: 40.75 kJ/mol; (16)Boiling Point: 188.7 °C at 760 mmHg; (17)Vapour Pressure: 0.816 mmHg at 25°C.
Uses of 2,4,6-Octatriene,2,6-dimethyl-: it can be used to produce 2,3,6-trimethyl-2-(4-methyl-penta-1,3-dienyl)-2,3,4,6-tetrahydro-pyrano[3,2-c]quinolin-5-one by heating. This reaction is a kind of Diels-Alder reaction. It will need solvent dioxane with reaction time of 6 hours. The yield is about 54%.
![2,4,6-Octatriene,2,6-dimethyl- can be used to produce 2,3,6-trimethyl-2-(4-methyl-penta-1,3-dienyl)-2,3,4,6-tetrahydro-pyrano[3,2-c]quinolin-5-one by heating](/UserFilesUpload/Uses of 2,4,6-Octatriene,2,6-dimethyl-.gif)
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). What's more, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC=C(C)C=CC=C(C)C
(2)InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3
(3)InChIKey: GQVMHMFBVWSSPF-UHFFFAOYSA-N