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Name |
2-Octanone |
EINECS | 203-837-1 |
CAS No. | 111-13-7 | Density | 0.812 g/cm3 |
PSA | 17.07000 | LogP | 2.54580 |
Solubility | 0.9 g/L in water | Melting Point |
-16 °C |
Formula | C8H16O | Boiling Point | 173.1 °C at 760 mmHg |
Molecular Weight | 128.214 | Flash Point | 62.8 °C |
Transport Information | UN 1224 3/PG 3 | Appearance | liquid |
Safety | 36/37-16 | Risk Codes | 21-10 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
NSC 3712;NSC5936;n-Hexyl methyl ketone;Hexyl methyl ketone;Methyl hexyl ketone;Methyl n-hexyl ketone; |
Article Data | 573 |
IUPAC Name: octan-2-one
Empirical Formula: C8H16O
Molecular Weight: 128.212
EINECS: 203-837-1
Structure of 2-Octanone (CAS NO.111-13-7):
Index of Refraction: 1.41
Molar Refractivity: 39.14 cm3
Molar Volume: 157.7 cm3
Polarizability: 15.51×10-24cm3
Surface Tension: 25.8 dyne/cm
Density: 0.812 g/cm3
Flash Point: 62.8 °C
Enthalpy of Vaporization: 39.26 kJ/mol
Melting Point: -16 °C
Boiling Point: 173.1 °C at 760 mmHg
Vapour Pressure: 1.72 mmHg at 25°C
Water Solubility :0.9 g/L
Stability: Stable. Incompatible with strong oxidizing agents. Flammable.
Physical Appearance: liquid
2-Octanone (CAS NO.111-13-7) is commonly used in the fields of fiber, medicine, pesticides, fragrances and chemicals.Someytimes it also can be used for the synthetic oil agents,defoamer agents, surfactant agents, coal flotation agents,and so on.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4765, 1982. | |
mouse | LD50 | oral | 3824mg/kg (3824mg/kg) | Toxicology Letters. Vol. 30, Pg. 13, 1986. | |
mouse | LD50 | unreported | 1600mg/kg (1600mg/kg) | Journal of Medicinal Chemistry. Vol. 19, Pg. 1257, 1976. | |
rabbit | LD50 | skin | 1337mg/kg (1337mg/kg) | Kodak Company Reports. Vol. #901875, | |
rat | LC50 | inhalation | > 2132ppm/6H (2132ppm) | Kodak Company Reports. Vol. #901875, | |
rat | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4765, 1982. | |
rat | LD50 | oral | 3089mg/kg (3089mg/kg) | Kodak Company Reports. Vol. #901875, |
Reported in EPA TSCA Inventory.
Hazard Codes: Xn
Risk Statements: 21-10
R21:Harmful in contact with skin.
R10:Flammable.
Safety Statements: 36/37-16
S36/37:Wear suitable protective clothing and gloves.
S16:Keep away from sources of ignition.
RIDADR: UN 1224 3/PG 3
WGK Germany: 1
RTECS: RH1484000
HS Code: 29141990
Poison by ingestion. Moderately toxic by intraperitoneal route. A skin irritant. Flammable liquid when exposed to heat, flame, or oxidizers. To fight fire, use foam, alcohol foam. When heated to decomposition it emits acrid smoke and irritating fumes.
DOT Classification: 3; Label: Flammable Liquid
2-Octanone , its cas register number is 111-13-7. It also can be called Hexyl methyl ketone ; Methyl hexyl ketone ; Methyl n-hexyl ketone ; UNII-J2G84H29AF ; n-Hexyl methyl ketone .