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CAS No.: | 85721-25-1 |
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Name: | 1,2-EPOXY-9-DECENE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H18O |
Molecular Weight: | 154.252 |
Synonyms: | Oct-7-en-1-yloxirane;(2R)-2-oct-7-enyloxirane;Oct-7-enyloxirane;(2S)-2-oct-7-enyloxirane; |
EINECS: | 288-437-5 |
Density: | 0.876 g/cm3 |
Melting Point: | 25 °C |
Boiling Point: | 199.8 °C at 760 mmHg |
Flash Point: | 68.8 °C |
Appearance: | clear colorless liquid |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-41 |
Safety: | 26-36 |
PSA: | 12.53000 |
LogP: | 2.91180 |
The 2-Oct-7-enyloxirane, with the CAS registry number 85721-25-1, is also known as 1,2-Epoxy-9-decene. It belongs to the product categories of Oxiranes; Simple 3-Membered Ring Compounds. Its EINECS registry number is 288-437-5. This chemical's molecular formula is C10H18O and molecular weight is 154.25. What's more, both its IUPAC name and systematic name are the same which is called (2S)-2-Oct-7-enyloxirane. This chemical is clear colorless liquid.
Physical properties about 2-Oct-7-enyloxirane are: (1) ACD/LogP: 3.34; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.33; (4) ACD/LogD (pH 7.4): 3.33; (5) ACD/BCF (pH 5.5): 201.52; (6) ACD/BCF (pH 7.4): 201.52; (7) ACD/KOC (pH 5.5): 1552.55; (8) ACD/KOC (pH 7.4): 1552.55; (9) #H bond acceptors: 1; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 12.53 Å2; (13) Index of Refraction: 1.454; (14) Molar Refractivity: 47.67 cm3; (15) Molar Volume: 175.9 cm3; (16) Surface Tension: 31.3 dyne/cm; (17) Density: 0.876 g/cm3; (18) Flash Point: 68.8 °C; (19) Enthalpy of Vaporization: 41.82 kJ/mol; (20) Boiling Point: 199.8 °C at 760 mmHg; (21) Vapour Pressure: 0.474 mmHg at 25 °C; (22) Melting Point: 25 °C.
Uses of 2-Oct-7-enyloxirane: it is used to produce other chemicals. For example, it is used to produce Dec-9-enal;
This reaction needs reagent Lithium 2,2,6,6-tetramethylpiperidide and solvent Tetrahydrofuran, Hexane at temperature of 20 °C. The reaction time is 12 hours. The yield is 78%.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to respiratory system, skin and may cause inflammation to the skin or other mucous membranes. In addition, it can risk of serious damage to eyes. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O1C(CCCCCC\C=C)C1
(2) InChI: InChI=1/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2
(3) InChIKey: FCZHJHKCOZGQJZ-UHFFFAOYAF