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2-Octanone
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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 Molecular Structure of 111-13-7 (2-Octanone) Hazard Symbols HarmfulXn
Synonyms

NSC 3712;NSC5936;n-Hexyl methyl ketone;Hexyl methyl ketone;Methyl hexyl ketone;Methyl n-hexyl ketone;

Article Data 573

2-Octanone Chemical Properties

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 Uses

 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.

2-Octanone Toxicity Data With Reference

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,

2-Octanone Consensus Reports

Reported in EPA TSCA Inventory.

2-Octanone Safety Profile

Hazard Codes: HarmfulXn
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.

2-Octanone Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

2-Octanone Specification

 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 .

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