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Basic Information
CAS No.: 591-78-6
Name: 2-Hexanone
Article Data: 479
Molecular Structure:
Molecular Structure of 591-78-6 (2-Hexanone)
Formula: C6H12O
Molecular Weight: 100.161
Synonyms: 2-Oxohexane;Butyl methyl ketone;MBK;Methyl butyl ketone;Methyl n-butyl ketone;n-Butylmethyl ketone;
EINECS: 209-731-1
Density: 0.803 g/cm3
Melting Point: -57 °C
Boiling Point: 127.8 °C at 760 mmHg
Flash Point: 35 °C
Solubility: 2 g/100 mL (20 ºC)
Appearance: colourless liquid
Hazard Symbols: ToxicT
Risk Codes: 10-48/23-62-67
Safety: 36/37-45
Transport Information: UN 1224
PSA: 17.07000
LogP: 1.76560
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Chemistry

2-HEXANONE(591-78-6) is an organic compound with the formula C6H12O. The chemical name is 2-Hexanone,and the formula weight is 100.16g/mol. Its IUPAC name is hexan-2-one.
CAS No.: 591-78-6
EINECS: 209-731-1
RTECS: MP1400000
RTECS Class: Mutagen; Reproductive Effector; Human Data; Primary Irritant
Following is the molecular structure of 2-HEXANONE(591-78-6):
                
The chemical synonymous of 2-HEXANONE(591-78-6) are 2-HEXANONE;METHYL N-BUTYL KETONE;Methyl buthylketone;METHYL BUTYL KETONE;MBK;BUTYL METHYL KETONE;N-BUTYL METHYL KETONE;MNBK
The density of 2-HEXANONE(591-78-6) is 0.812 g/cm3 and it has a melting point of -57 °C. The boiling point is 127 °C(lit.).Its flash point is 95 °F.
This colorless to pale yellow liquid has a sharp odor and it dissolves very easily in water,miscible in ethanol, methanol, benzene..It can evaporate easily into the air as a vapor.
Storage temp.: 2-8°C
Stability: Stable. Flammable. Incompatible with oxidizing agents, strong bases, reducing agents.

Uses

2-HEXANONE(591-78-6) is used in the past in paint and paint thinner, to make other chemical substances, and to dissolve oils and waxes.and is used as a solvent and organic synthesis intermediates.

Production

Product Categories about 2-HEXANONE(591-78-6) are Industrial/Fine Chemicals;ketone

Toxicity Data With Reference

<tr valign="top
1.   

skn-rbt 500 mg/24H MLD

   85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,283.
2.   

eye-rbt 100 mg open

   AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
3.   

eye-rbt 500 mg/24H MLD

   85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,283.
4.   

ihl-rat TCLo:2000 ppm/6H (1-21D preg):REP

   EESADV    Ecotoxicology and Environmental Safety. 5 (1981),291.
5.   

ihl-rat TCLo:1000 ppm/6H (1-21D preg):TER

   EESADV    Ecotoxicology and Environmental Safety. 5 (1981),291.
6.   

ihl-hmn TCLo:1000 ppm:EYE,CNS,GIT

   NPIRI*    Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. 1 (1974),78.
7.   

orl-rat LD50:2590 mg/kg

   AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
8.   

ihl-rat LC50:8000 ppm/4H

   NPIRI*    Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. 1 (1974),78.
9.   

ipr-rat LDLo:914 mg/kg

   RalRL#    Personal Communication to NIOSH from Robert L. Raleigh, M.D., Assistant Director of Health and Safety Lab., Eastman Kodak Company, Rochester, NY 01MAR74 .

guinea pig     LD50     unreported     914mg/kg (914mg/kg)       Personnal Communication from R.L. Raleigh, Assistant Director of Health and Safety Lab., Eastman Kodak Co., Rochester, NY, Mar. 6, 1974Vol. 01MAR1974, 
guinea pig     LDLo     oral     914mg/kg (914mg/kg)       Personnal Communication from R.L. Raleigh, Assistant Director of Health and Safety Lab., Eastman Kodak Co., Rochester, NY, Mar. 6, 1974Vol. 01MAR1974, 
human     TCLo     inhalation     1000ppm (1000ppm)     SENSE ORGANS AND SPECIAL SENSES: OTHER: EYEBEHAVIORAL: HEADACHEGASTROINTESTINAL: NAUSEA OR VOMITING     Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 78, 1974.
mouse     LD50     oral     2430mg/kg (2430mg/kg)     Toxicology Letters.    Vol. 30, Pg. 13, 1986.
rabbit     LD50     skin     4800mg/kg (4800mg/kg)       Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 78, 1974.
rat     LC50     inhalation     8000ppm/4H (8000ppm)       Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 78, 1974.
rat     LD50     oral     2590mg/kg (2590mg/kg)       AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat     LD50     unreported     914mg/kg (914mg/kg)       Personnal Communication from R.L. Raleigh, Assistant Director of Health and Safety Lab., Eastman Kodak Co., Rochester, NY, Mar. 6, 1974Vol. 01MAR1974, 
rat     LDLo     intraperitoneal     914mg/kg (914mg/kg)       Personnal Communication from R.L. Raleigh, Assistant Director of Health and Safety Lab., Eastman Kodak Co., Rochester, NY, Mar. 6, 1974Vol. 01MAR1974,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. Mildly toxic by inhalation and skin contact. Experimental teratogenic and reproductive effects. Human systemic effects by inhalation: unspecified eye effects, headache, nausea or vomiting. A skin and eye irritant. Dangerous fire and explosion hazard when exposed to heat or flame; can react with oxidizing materials. To fight fire, use alcohol foam, CO2, dry chemical. See also KETONES.
Analytical Methods:  For occupational chemical analysis use NIOSH: Ketones I (Desorption in CS2) 1300.
Hazard Codes:
    T: Toxic 
    F: Flammable 
Risk Statements about 2-HEXANONE(591-78-6):
    R10 Flammable.
    R11 Highly flammable.
    R62 Risk of impaired fertility.
    R67 Vapours may cause drowsiness and dizziness.
    R23/24/25 Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements about 2-HEXANONE(591-78-6):
    S7 Keep container tightly closed.
    S16 Keep away from sources of ignition.
    S45 In case of accident or if you feel unwell, seek medical advice immediately (show the
label whenever possible.)
    S36/37 Wear suitable protective clothing and gloves.

Standards and Recommendations

OSHA PEL: TWA 5 ppm
ACGIH TLV: TWA 5 ppm; STEL 10 ppm
DFG MAK: 5 ppm (21 mg/m3)
NIOSH REL: (Ketones) TWA 4 mg/m3
DOT Classification:  3; Label: Flammable Liquid

Analytical Methods

For occupational chemical analysis use NIOSH: Ketones I (Desorption in CS2) 1300.

Specification

Storage:Keep away from sources of ignition. Store in a cool,dry place. Store in a tightly closed container.
Handling:Wash thoroughly after handling. Use only in a well ventilated area. Ground and bond containers when transferring material. Avoid contact with eyes, skin, and clothing. Avoid contact with heat,sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.