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591-78-6

591-78-6 structure
591-78-6 structure

Name 2-Hexanone
Synonyms 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
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)

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)
Symbol GHS02 GHS07 GHS08
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
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