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| CAS No.: | 930-68-7 |
|---|---|
| Name: | 2-Cyclohexen-1-one |
| Article Data: | 1075 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8O |
| Molecular Weight: | 96.1289 |
| Synonyms: | Cyclohex-2-enone;2-Cyclohexenone;1-Cyclohexen-3-one;α-Cyclohexenone;3-Oxocyclohexene;Cyclohexen-2-one;2-Cyclohexene-1-one; |
| EINECS: | 213-223-5 |
| Density: | 0.999 g/cm3 |
| Melting Point: | -53 °C |
| Boiling Point: | 166.629 °C at 760 mmHg |
| Flash Point: | 55.742 °C |
| Solubility: | soluble in water |
| Appearance: | clear light yellow to yellow liquid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 22-23/24 |
| Safety: | 23-36/37/39-45 |
| Transport Information: | UN 2929 6.1/PG 2 |
| PSA: | 17.07000 |
| LogP: | 1.29560 |
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Chemistry
Molecular Structure of 2-Cyclohexen-1-one (CAS NO.930-68-7):
IUPAC Name: cyclohex-2-en-1-one
Molecular Formula: C6H8O
Formula Weight: 96.13
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.481
Molar Refractivity: 27.4 cm3
Molar Volume: 96.2 cm3
Surface Tension: 34.6 dyne/cm
Density: 0.998 g/cm3
Flash Point: 55.7 °C
Enthalpy of Vaporization: 40.31 kJ/mol
Boiling Point: 166.6 °C at 760 mmHg
Vapour Pressure: 1.77 mmHg at 25°C
Storage temp: 0-6°C
Water Solubility : soluble
Physical State: Liquid
Melting point: -53 °C
EINECS: 213-223-5
Product Categories: ketone; C3 to C6; Carbonyl Compounds; Ketones
Toxicity Data With Reference
| 1. | eye-rbt 98 mg | AIHAAP American Industrial Hygiene Association Journal. 33 (1972),338. | ||
| 2. | mmo-sat 15 mmol/L | MUREAV Mutation Research. 93 (1982),305. | ||
| 3. | dns-rat:lvr 10 µmol/L | MUREAV Mutation Research. 221 (1989),263. | ||
| 4. | orl-rat LD50:220 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 33 (1972),338. | ||
| 5. | ihl-rat LC50:250 ppm/4H | AIHAAP American Industrial Hygiene Association Journal. 33 (1972),338. | ||
| 6. | ipr-mus LD50:170 mg/kg | ZolH## Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, to H. Lau, Tracor Jitco, Inc., October 23, 1975 23OCT75 . | ||
| 7. | skn-rbt LD50:70 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 33 (1972),338. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A poison by ingestion, inhalation, intraperitoneal, and skin contact routes. Mutation data reported. When heated to decomposition it emits acrid smoke and irritant fumes. See also KETONES.
Hazard Codes: 
T
Risk Statements: 22-23/24
R22:Harmful if swallowed.
Safety Statements: 23-36/37/39-45
S23:Do not breathe vapour.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2929 6.1/PG 2
WGK Germany: 3
RTECS: GW7000000
Hazard Note: Toxic
HazardClass: 6.1
PackingGroup: II
Specification
2-Cyclohexen-1-one , with CAS number of 930-68-7, can be called Cyclohex-2-enone ; 1-Cyclohexen-3-one ; 2-cyclohexenone,2-cyclohexen-1-one,α-cyclonexenone ; 2-cyclohexenone / 2-Cyclohex ; Cyclohex-2-en-1-one ; Cyclohexen-2-one ; 2-Cyclohexen -1-one . 2-Cyclohexen-1-one (CAS NO.930-68-7) should be stored in a cool, dry, well-ventilated area away from incompatible substances. Keeping away from sources of ignition. Flammables-area.