2-Hexanone

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Names

[ CAS No. ]:
591-78-6

[ Name ]:
2-Hexanone

[Synonym ]:
2-Hexanone
Butyl methyl ketone
hexanone
MFCD00009482
Hexan-2-on
EINECS 209-731-1
2-Ketohexane
n-C4H9COCH3
n-Butyl methyl ketone
MNBK
hexan-2-one
Hexanone-2
MBK
2-Hexanon
Methyl n-Butyl Ketone
2-Oxohexane
methyl butyl ketone
Ketone, butyl methyl

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
127.8±3.0 °C at 760 mmHg

[ Melting Point ]:
-57 °C

[ Molecular Formula ]:
C₆H₁₂O

[ Molecular Weight ]:
100.159

[ Flash Point ]:
35.0±0.0 °C

[ Exact Mass ]:
100.088814

[ PSA ]:
17.07000

[ LogP ]:
1.44

[ Vapour Pressure ]:
13.3±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.395

[ Stability ]:
Stable. Flammable. Incompatible with oxidizing agents, strong bases, reducing agents.

[ Water Solubility ]:
2 g/100 mL (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MP1400000

CHEMICAL NAME :: 2-Hexanone

CAS REGISTRY NUMBER :: 591-78-6

BEILSTEIN REFERENCE NO. :: 1737676

LAST UPDATED :: 199806

DATA ITEMS CITED :: 56

MOLECULAR FORMULA :: C6-H12-O

MOLECULAR WEIGHT :: 100.18

WISWESSER LINE NOTATION :: 4V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 1000 ppm

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - headache Gastrointestinal - nausea or vomiting

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2590 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 8000 ppm/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 914 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 914 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2430 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 4800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 914 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 914 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 692 ppm/81D-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Behavioral - muscle weakness Related to Chronic Data - changes in testicular weight

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 976 ppm/6H/25W-I

TOXIC EFFECTS :: Peripheral Nerve and Sensation - recording from peripheral motor nerve Behavioral - alteration of operant conditioning Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1300 ppm/6H/17W-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Peripheral Nerve and Sensation - structural change in nerve or sheath

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 400 ppm/24H/42D-C

TOXIC EFFECTS :: Peripheral Nerve and Sensation - structural change in nerve or sheath

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Primate - monkey

DOSE/DURATION :: 976 ppm/6H/25W-I

TOXIC EFFECTS :: Peripheral Nerve and Sensation - recording from peripheral motor nerve

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 400 ppm/24H/33D-C

TOXIC EFFECTS :: Peripheral Nerve and Sensation - structural change in nerve or sheath

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 55500 mg/kg/37W-I

TOXIC EFFECTS :: Brain and Coverings - demyelination Spinal Cord - other degenerative changes Peripheral Nerve and Sensation - structural change in nerve or sheath

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 59262 mg/kg/24W-C

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - other changes

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Bird - chicken

DOSE/DURATION :: 200 ppm/90D-C

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 1000 ppm/6H

SEX/DURATION :: female 1-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - gastrointestinal system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 2000 ppm/6H

SEX/DURATION :: female 1-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - behavioral

MUTATION DATA

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TEST SYSTEM :: Yeast - Saccharomyces cerevisiae

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 341,83,1994 *** REVIEWS *** ACGIH TLV-TWA 20 mg/m3 (5 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 TOXICOLOGY REVIEW ARPTDI Annual Review of Pharmacology and Toxicology. (Annual Reviews, Inc., POB 10139, Palo Alto, CA 94303) V.16- 1976- Volume(issue)/page/year: 22,145,1982 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 100 ppm (410 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,126,1971 OSHA PEL (Gen Indu):8H TWA 100 ppm (410 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 100 ppm (410 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 100 ppm (410 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 100 ppm (410 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 5 ppm (20 mg/m3) JAN 1993 OEL-BELGIUM:TWA 5 ppm (20 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 1 ppm (4 mg/m3);Skin JAN 1993 OEL-FINLAND:TWA 5 ppm (20 mg/m3);STEL 10 ppm (40 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 5 ppm (20 mg/m3);STEL 8 ppm (35 mg/m3) JAN 1993 OEL-GERMANY:TWA 5 ppm (21 mg/m3) JAN 1993 OEL-HUNGARY:TWA 20 mg/m3;STEL 40 mg/m3;Skin JAN 1993 OEL-JAPAN:TWA 5 ppm (20 mg/m3);Skin JAN 1993 OEL-THE NETHERLANDS:TWA 5 ppm (21 mg/m3);Skin JAN 1993 OEL-THE PHILIPPINES:TWA 100 ppm (410 mg/m3) JAN 1993 OEL-POLAND:TWA 200 mg/m3 JAN 1993 OEL-RUSSIA:TWA 5 ppm JAN 1993 OEL-SWEDEN:TWA 5 ppm (20 mg/m3);STEL 8 ppm (35 mg/m3);Skin JAN 1993 OEL-SWITZERLAND:TWA 5 ppm (21 mg/m3);STEL 10 ppm (42 mg/m3) JAN 1993 OEL-TURKEY:TWA 100 ppm (410 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 5 ppm (20 mg/m3);Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO METHYL BUTYL KETONE-air:10H TWA 1 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 37330 No. of Facilities: 5073 (estimated) No. of Industries: 76 No. of Occupations: 45 No. of Employees: 41624 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 37330 No. of Facilities: 168 (estimated) No. of Industries: 5 No. of Occupations: 5 No. of Employees: 1122 (estimated) No. of Female Employees: 656 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H336-H361f-H372

[ Precautionary Statements ]:
P261-P281-P314

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T:Toxic

[ Risk Phrases ]:
R10;R48/23;R62;R67

[ Safety Phrases ]:
S36/37-S45-S16-S7

[ RIDADR ]:
UN 1224 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
MP1400000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Hex-1-yne
2-Hexanol
1-hexene
Hex-2-yne
1-Hexene, 2-methyl-
1-Hexen-5-one
2-Hexanone, oxime
N-hexane
2-hexanone phenylhydrazone
tributyl(prop-1-en-2-yloxy)stannane

DownStream

ethyl 2,4-dioxooctanoate
2-BROMOHEXANE
Pyrylium, 2,4,6-triphenyl-, chloride
2-n-Butyl-4,6-diphenyl-benzophenon
2-chloro-2-methylhexane
METHYL 3-OXOHEPTANOATE
2,5-Hexanedione Monoethylene Ketal
5-methyl-5-nonanol
3-Heptanol, 3-methyl-
2-Hexanone, oxime

Articles

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

Determination of cyanide, in urine and gastric content, by electrospray ionization tandem mass spectrometry after direct flow injection of dicyanogold.

Anal. Chim. Acta 651(1) , 81-4, (2009)

A rapid and sensitive electrospray ionization tandem mass spectrometric (ESI-MS-MS) procedure was developed for the determination of cyanide (CN(-)). CN(-) in biological fluids was reacted with NaAuCl...

Toxicity and metabolism of the neurotoxic hexacarbons n-hexane, 2-hexanone, and 2,5-hexanedione.

Annu. Rev. Pharmacol. Toxicol. 22 , 145-66, (1982)

Human exposure to hexacarbon compounds is quite pervasive, including occupational exposures to industrial solvents as well as unintentional and sometimes deliberate exposures to hexacarbon solvents co...

2-hexanone oxime
2-hexanone oxime
3-iodo-2-hexanone
chloro-2-hexanone
2-Hexanone,3-amino
5-nitro-2-hexanone
1-[4-(bromomethyl)-2-fluorophenyl]-4-methanesulfonyl-1H-pyrazole
3-chloro-5-(chloromethyl)-2-(4-methanesulfonyl-1H-pyrazol-1-yl)pyridine
3-chloro-5-(chloromethyl)-2-(4-methanesulfonyl-1H-pyrazol-1-yl)-6-methylpyridine
2-(chloromethyl)-6-(4-methanesulfonyl-1H-pyrazol-1-yl)pyrazine
6-Ethyl-2-(oxolan-3-yl)quinolin-3-ol
Tert-butyl 4-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylate
{1-[4-(1H-pyrazol-1-yl)phenyl]cyclopropyl}methanol
1-[6-(Aminomethyl)pyridin-2-yl]-3-butylurea
Ethyl 3-amino-3-(1-methylcyclobutyl)propanoate
5-Fluoro-2-(1-hexyn-1-yl)benzaldehyde

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