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| CAS No.: | 1629-60-3 |
|---|---|
| Name: | 1-Hexen-3-one |
| Article Data: | 47 |
| Molecular Structure: | |
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| Formula: | C6H10O |
| Molecular Weight: | 98.1448 |
| Synonyms: | Propylvinyl ketone;Vinyl propyl ketone; |
| EINECS: | 216-625-9 |
| Density: | 0.819g/cm3 |
| Boiling Point: | 130 °C at 760 mmHg |
| Flash Point: | 28.5 °C |
| Solubility: | Soluble in water (slightly). |
| Hazard Symbols: | R10:Flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36 |
| PSA: | 17.07000 |
| LogP: | 1.54160 |
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Specification
The 1-Hexen-3-one with the cas number 1629-60-3 is also called Propylvinyl ketone. Both the systematic name and IUPAC name is hex-1-en-3-one. Its EINECS registry number is 216-625-9. The molecular formula is C6H10O. The product category is pharmacetical. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 4.05; (7)ACD/KOC (pH 5.5): 94.76; (8)ACD/KOC (pH 7.4): 94.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 29.6 cm3; (15)Molar Volume: 119.7 cm3; (16)Polarizability: 11.73×10-24cm3; (17)Surface Tension: 23.9 dyne/cm; (18)Enthalpy of Vaporization: 36.76 kJ/mol; (19)Vapour Pressure: 9.91 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally you should keep this chemical away from sources of ignition.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C)CCC
(2)InChI: InChI=1/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3
(3)InChIKey: JTHNLKXLWOXOQK-UHFFFAOYAL