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| CAS No.: | 10353-53-4 |
|---|---|
| Name: | 1,2-Epoxy-5-hexene |
| Molecular Structure: | |
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| Formula: | C6H10O |
| Molecular Weight: | 98.1448 |
| Synonyms: | 1-Hexene,5,6-epoxy- (7CI,8CI);Oxirane, 3-butenyl- (9CI);2-(3-Buten-1-yl)oxirane;2-(3-Butenyl)oxirane;3-Butenyloxirane;5,6-Epoxy-1-hexene;Diallyl monooxide;Diallyl monoxide;w-Butenyloxirane;2-But-3-enyl-oxirane; |
| EINECS: | 233-771-9 |
| Density: | 0.892 g/cm3 |
| Boiling Point: | 119.999 °C at 760 mmHg |
| Flash Point: | 15.556 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 T,  F
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| Risk Codes: | 45-36/37/38-20/21/22-11-48/20/21/22-41-37/38-46 |
| Safety: | 53-45-37/39-26-16-36/37/39 |
| Transport Information: | UN 1992 |
| PSA: | 12.53000 |
| LogP: | 1.35140 |
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Specification
The 1,2-Epoxy-5-hexene with the cas registry number of 10353-53-4 belongs to the product categories of oxiranes; simple 3-membered ring compounds; epoxide monomers; monomers; polymer science. Its EINECS registry number is 233-771-9. This chemical is also known as Oxirane, 3-butenyl- and 5,6-Epoxyhex-1-ene. Its IUPAC name and systematic name are the same which is called 2-But-3-enyloxirane. At the same time, its classification code is mutation data. This chemical is clear colorless liquid.
Physical properties about this chemical are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 6.84; (6)ACD/BCF (pH 7.4): 6.84; (7)ACD/KOC (pH 5.5): 137.89; (8)ACD/KOC (pH 7.4): 137.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 29.14 cm3; (15)Molar Volume: 109.9 cm3; (16)Surface Tension: 30 dyne/cm; (17)Density: 0.892 g/cm3; (18)Flash Point: 15.6 °C; (19)Enthalpy of Vaporization: 34.33 kJ/mol; (20)Boiling Point: 120 °C at 760 mmHg; (21)Vapour Pressure: 18.6 mmHg at 25°C.
Uses of 1,2-Epoxy-5-hexene: it can be heated to produce 1-(2-Hydroxy-5-hexenyl)-2-nitroimidazole. This reaction will need reagent Na2CO3 and solvent dimethylformamide with reaction time of 15 mins. The yield is about 37.5%.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health and may catch fire in contact with air. Secondly, it only needs brief contact with an ignition source. This chemical has a very low flash point or evolve highly flammable gases in contact with water. It may cause cancer and can irritate to eyes, respiratory system and skin. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). At last, whenever you will contact it, please wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O1C(CC\C=C)C1;
(2)InChI: InChI=1/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2; (3)InChIKey: MUUOUUYKIVSIAR-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2;
(5)Std. InChIKey: MUUOUUYKIVSIAR-UHFFFAOYSA-N.