2-Cyclohexen-1-One
Basic Information
CAS: 930-68-7
Molecular formula: C6H8O
Molecular weight: 96.13
Physical and chemical properties
[Density]: 1.0±0.1 g/cm³
[Boiling Point]: 166.6±10.0 ℃ at 760 mmHg
[Melting point]：-53 ℃
[Molecular formula]: C6H8O
[Molecular weight]：96.127
[Flashing point]: 56.1±0.0 ℃
[Accurate mass]: 96.057518
[PSA]: 17.07000
[LogP]: 0.45
[External properties]: Clear light yellow to yellow liquid
[Vapor pressure]: 1.8±0.3 mmHg at 25℃
[Refractive index]: 1.481
[Storage conditions]:
Keep the container sealed and store in a cool, dry place
[Stability]:
1. Stable at normal temperature and pressure, avoid contact with strong oxidizing agents, reducing agents and alkalis.
2. Present in the flue gas.
[Water solubility]: SOLUBLE
[Molecular structure]：
1. Molar refraction: 27.40
2. Molar volume (cm³/mol): 96.2
3. Parachor (90.2K): 233.4
4. Surface tension (dyne/cm): 34.6
5. Polarizability (10⁻²⁴cm³): 10.86
[Calculational chemistry]:
1. Reference values for calculation of hydrophobic parameters (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrophobic bond receptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecular polar surface area: 17.1
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 103
10. Number of isotope atoms: 0
11. Number of certain atomic structure centers: 0
12.Number of uncertain atomic structure centers: 0
13. Number of certain chemical bond structure centers: 0
14.Number of uncertain chemical bond structure centers: 0
15. Number of covalent bond units: 1
[More]:
1. Property: Liquid
2. Density (g/mL,25/4℃): 0.962g/mL
3. Relative density (20℃, 4℃): 0.9931
4. Melting point (℃): -53
5. Boiling point (℃, normal pressure): 170
6. Refractive index at room temperature (n20): 1.4886
7. Refractive index: 1.4875-1.4895
8. Flashing point (℃): 56
9. Specific rotation (°): Undefined
10. Self-ignition point or ignition temperature (℃): Undefined
11. Vapor pressure (168℃): 760 mm Hg
12. Saturated vapor pressure (kPa,60℃): Undefined
13. Heat of combusition (KJ/mol): Undefined
14. Critical temperature (℃): Undefined
15. Critical pressure (KPa): Undefined
16. Logarithmic value of oil-water (octanol/water) partition coefficient: Undefined
17. Upper explosion limit (%,V/V): Undefined
18. Lower explosion limit (%,V/V): Undefined
19. Solubility: Soluble in alcohol, acetone, ether, insoluble in water
Safety Information
[Symbol]: GHS02, GHS06
[ Signal word]: Danger
[ Hazard Statement]: H226-H301 + H331-H310
[Warning Statement]: P261-P280-P301 + P310-P302 + P350-P310
[PPE]: Eyeshields; Faceshields; full-face respirator (US); Gloves; multi-purpose combination respirator cartridge (US); type ABEK (EN14387) respirator filter
[Hazard Code (Europe)]: T:Toxic;
[Risk Statement (Europe)]: R22; R23/24
[Safety Statement (Europe)]: S23-S36/37/39-S45
[Dangerous Cargo Transport Code]: UN 2929 6.1/PG 2
[WGK Germany]: 3
[RTECS No.]：GW7000000
[Packaging Level]: II
[Risk Classification]: 6.1
[Customs Code]: 2914299000
Jiangsu, China
