5-Methyl-2-hexanone

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Names

[ CAS No. ]:
110-12-3

[ Name ]:
5-Methyl-2-hexanone

[Synonym ]:
Isobutylacetone,Isopentyl methyl ketone
MIAK
5-Methylhexan-2-one
isopentyl methyl ketone
Isobutylacetone
methyl isoamyl ketone
Isoamyl Methyl Ketone
EINECS 203-737-8
(CH3)2CHCH2CH2COCH3
2-Hexanone, 5-methyl-
MFCD00008950

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
144.0±0.0 °C at 760 mmHg

[ Melting Point ]:
-74 °C

[ Molecular Formula ]:
C₇H₁₄O

[ Molecular Weight ]:
114.186

[ Flash Point ]:
41.1±0.0 °C

[ Exact Mass ]:
114.104462

[ PSA ]:
17.07000

[ LogP ]:
1.78

[ Vapour density ]:
3.94 (vs air)

[ Vapour Pressure ]:
5.2±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.402

[ Water Solubility ]:
5.4 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MP3850000

CHEMICAL NAME :: 2-Hexanone, 5-methyl-

CAS REGISTRY NUMBER :: 110-12-3

BEILSTEIN REFERENCE NO. :: 0506163

LAST UPDATED :: 199712

DATA ITEMS CITED :: 30

MOLECULAR FORMULA :: C7-H14-O

MOLECULAR WEIGHT :: 114.21

WISWESSER LINE NOTATION :: 1Y1&2V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3200 mg/kg

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

REFERENCE :: 38MKAJ "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 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4759,1982

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4000 ppm/4H

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

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 400 mg/kg

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

REFERENCE :: 38MKAJ "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 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4759,1982

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2542 mg/kg

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

REFERENCE :: TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 30,13,1986

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

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

REFERENCE :: 38MKAJ "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 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4759,1982

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 10 mL/kg

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

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/7/1963 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 30 gm/kg/3W-I

TOXIC EFFECTS :: Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571116

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 130 gm/kg/13W-I

TOXIC EFFECTS :: Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571116

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1000 ppm/6H/16D-I

TOXIC EFFECTS :: Liver - changes in liver weight

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,498,1986

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1000 ppm/6H/96D-I

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,498,1986 *** REVIEWS *** ACGIH TLV-TWA 234 mg/m3 (50 ppm) 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 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 100 ppm (475 mg/m3) DTLWS* "Documentation of the Threshold Limit Values for Substances in Workroom Air," Supplements. For publisher information, see 85INA8. Volume(issue)/page/year: 3,22,1973 OSHA PEL (Gen Indu):8H TWA 100 ppm (475 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 (475 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 (475 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 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 50 ppm (240 mg/m3) JAN 1993 OEL-BELGIUM:TWA 50 ppm (234 mg/m3) JAN 1993 OEL-DENMARK:TWA 50 ppm (230 mg/m3) JAN 1993 OEL-FINLAND:TWA 100 ppm (460 mg/m3);STEL 150 ppm (700 mg/m3) JAN 1993 OEL-FRANCE:TWA 50 ppm (240 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 25 ppm (130 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 50 ppm (240 mg/m3);STEL 75 ppm 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 ISOAMYL KETONE-air:10H TWA 50 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 - M0430 No. of Facilities: 3003 (estimated) No. of Industries: 44 No. of Occupations: 36 No. of Employees: 25307 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0430 No. of Facilities: 1132 (estimated) No. of Industries: 17 No. of Occupations: 22 No. of Employees: 18834 (estimated) No. of Female Employees: 4071 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226-H332

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R10;R20

[ Safety Phrases ]:
S23-S24/25

[ RIDADR ]:
UN 2302 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
MP3850000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
29141910

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

5-Methyl-2-hexanol
trimethyl(5-methylhex-1-en-2-yloxy)silane
Isobutyraldehyde
Acetone
Bromobenzene
Ethyl, 2-isobutyl acetoacetate
Methanol
2-Iodopropane
Methyl vinyl ketone

DownStream

2-hydroxy-2,5-dimethylhexanenitrile
2-Hexanol,2,5-dimethyl-
3-Methylbutanoic acid
acetic acid
2-AMINO-5-METHYLHEXANE
5-Methyl-2-hexanol
2,5-DIMETHYLHEXANE
isoheptane
4-Methylpentanoic acid
methyl 6-methyl-3-oxoheptanoate

Customs

[ HS Code ]: 2914190090

[ Summary ]:
2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

Subchronic inhalation toxicity of methyl isoamyl ketone in rats.

Fundam. Appl. Toxicol. 6(3) , 498-505, (1986)

Rats were exposed by inhalation, 6 hr/day, 5 days/week, to target vapor concentrations of 2000, 1000, or 0 ppm of methyl isoamyl ketone (MIAK) for 12 exposures spanning 16 days, and 2000, 1000, 200, o...

Germination responses of several species of rust spores to 5-methyl-2-hexanone, isomers of ionone, and other structurally related flavor compounds. French RC.

J. Agric. Food Chem. 31(2) , 423-427, (1983)

The near-UV absorption cross sections for several ketones. Yujing M and Mellouki A.

J. Photochem. Photobiol. A: Chem. 134(1) , 31-36, (2000)

5-cyano-5-methyl-2-hexanone
1-Chloro-5-methyl-2-hexanone
4-Hydroxy-5-methyl-2-hexanone
3-Methoxy-5-methyl-2-hexanone
4-hydroxy-5-methyl-2-hexanone
3-Hydroxy-5-methyl-2-hexanone
Methyl 4-(fluorosulfonyl)-5-methylfuran-2-carboxylate
Methyl 2-chloro-6-fluoro-8-methylquinoline-3-carboxylate
2-(5-Bromothiophen-2-yl)-1,1-difluoropropan-2-amine
1-(2-Bromo-1,3-thiazol-4-yl)-2,2-difluoroethan-1-one
1-ethyl-5-fluoro-1H-1,2,3-benzotriazole-6-carboxylic acid
tert-butyl 2-[(6-bromo-5-fluoro-1H-1,2,3-benzotriazol-1-yl)methyl]piperidine-1-carboxylate
tert-butyl 2-{[5-(4-bromo-1,3-thiazol-2-yl)-octahydro-1H-isoindol-5-yl]oxy}acetate
2-(1-Nitrocyclobutyl)ethane-1-sulfonyl fluoride
2-{4-[(4-formyl-1H-imidazol-1-yl)methyl]phenyl}propanoic acid
Methyl 2-methyl-2-[6-(trifluoromethyl)piperidin-2-yl]propanoate

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