5-Methyl-2-hexanone

Modify Date: 2026-07-15 06:38:31

5-Methyl-2-hexanone Structure
5-Methyl-2-hexanone structure
 Common Name 5-Methyl-2-hexanone
CAS Number 110-12-3 Molecular Weight 114.186
Density 0.8±0.1 g/cm3 Boiling Point 144.0±0.0 °C at 760 mmHg
Molecular Formula C7H14O Melting Point -74 °C
MSDS Chinese USA Flash Point 41.1±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07		 Signal Word Warning

Summary: 5-Methyl-2-hexanone (Chinese name: 5-甲基-2-己酮), CAS number: 110-12-3, molecular formula: C7H14O, molecular weight: 114.186, appears as a colorless liquid with a pleasant odor, melting point: -74°C, boiling point: 144.0°C, density: 0.8g/cm3. For research-use only, not for medical or clinical usage.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 5-Methyl-2-hexanone
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS02 GHS07
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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

 Articles5

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

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-Methyl-2-hexanoneBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841
Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788
Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813
Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG
Total 187, Current Page 1 of 19
1
2
3
4
5

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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
MFCD00008950

 5-Methyl-2-hexanone | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the boiling point of 5-Methyl-2-hexanone?
A: Boiling point of 5-Methyl-2-hexanone is 144.0±0.0 °C at 760 mmHg.
Q: What is the melting point of 5-Methyl-2-hexanone?
A: Melting point of 5-Methyl-2-hexanone is -74 °C.
Q: What is the CAS number of 5-Methyl-2-hexanone?
A: CAS number of 5-Methyl-2-hexanone is 110-12-3.
Q: What is the safety information for 5-Methyl-2-hexanone?
A: Safety information for 5-Methyl-2-hexanone: S23-S24/25.
Q: How is the water solubility of 5-Methyl-2-hexanone?
A: Water solubility of 5-Methyl-2-hexanone: 5.4 g/L (20 ºC).
Q: What is the molecular weight of 5-Methyl-2-hexanone?
A: Molecular weight of 5-Methyl-2-hexanone is 114.186.
Q: What is the polar surface area (PSA) of 5-Methyl-2-hexanone?
A: Polar surface area (PSA) of 5-Methyl-2-hexanone is 17.07000.
Q: What are the upstream materials of 5-Methyl-2-hexanone?
A: Related upstream materials(CAS) of 5-Methyl-2-hexanone: 627-59-8;73503-97-6;78-84-2;67-64-1;108-86-1;1522-34-5;67-56-1;75-30-9;78-94-4.
Q: What English synonyms does 5-Methyl-2-hexanone have?
A: English synonyms of 5-Methyl-2-hexanone: 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, MFCD00008950.
Q: What is the LogP of 5-Methyl-2-hexanone?
A: LogP of 5-Methyl-2-hexanone is 1.78.

 5-Methyl-2-hexanonefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.
Top Suppliers:I want be here

Get all suppliers and price by the below link:

5-Methyl-2-hexanone suppliers

5-Methyl-2-hexanone price

Related Compounds: More...
3-Fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyridine
2199971-64-5
2-{[(3-Fluoropyridin-2-yl)oxy]methyl}-6-methylpyridine
2202328-44-5
3-Fluoro-2-[(1-methylpiperidin-3-yl)methoxy]pyridine
2199971-65-6
5-Fluoro-2-(prop-2-en-1-yloxy)pyridine
2166640-24-8
2-Cyclobutoxy-5-fluoropyridine
1824652-46-1
5-Fluoro-2-[(1-methylpiperidin-4-yl)oxy]pyridine
2200424-88-8
2-[(5-fluoropyridin-2-yl)oxy]-N,N-dimethylcyclopentan-1-amine
2198300-49-9
2-(But-2-yn-1-yloxy)-5-fluoropyridine
2198885-91-3
5-Fluoro-2-[(1-methylpyrrolidin-3-yl)oxy]pyridine
2198986-75-1
5-Fluoro-2-({7-oxaspiro[3.5]nonan-2-yl}methoxy)pyridine
2176125-94-1
Chemsrc provides 5-Methyl-2-hexanone(CAS#:110-12-3) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 5-Methyl-2-hexanone are included as well.>> amp version: 5-Methyl-2-hexanone

Home | MSDS/SDS Database Search | Journals | Product Classification | Biologically Active Compounds | Selling Leads | About Us | Disclaimer

Copyright © 2026 ChemSrc All Rights Reserved