WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 558455

CAS#: 591-78-6

Description: 2-Hexanone ketone is an industrial solvent which causes nervous system degeneration. MBK is an acronym often used to refer to it. It is used as a general solvent and in paints. It dissolves cellulose nitrate, vinyl polymers and copolymers, and natural and synthetic resins.

Chemical Structure

CAS# 591-78-6

Theoretical Analysis

MedKoo Cat#: 558455
Name: 2-Hexanone
CAS#: 591-78-6
Chemical Formula: C6H12O
Exact Mass: 100.09
Molecular Weight: 100.16
Elemental Analysis: C, 71.95; H, 12.08; O, 15.97

Price and Availability

Size Price Availability Quantity
50.0g USD 260.0 2 Weeks
100.0g USD 410.0 2 Weeks
500.0g USD 1000.0 2 Weeks
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Synonym: 2-Hexanone; 2Hexanone; 2Hexanone; MBK; Methyl butyl ketone; Methyl n-butyl ketone;

IUPAC/Chemical Name: 2-Hexanone


InChi Code: InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3


Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

Preparing Stock Solutions

The following data is based on the product molecular weight 100.16 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Chen Y, Morisawa Y, Futami Y, Czarnecki MA, Wang HS, Ozaki Y. Combined IR/NIR and density functional theory calculations analysis of the solvent effects on frequencies and intensities of the fundamental and overtones of the C ═ O stretching vibrations of acetone and 2-hexanone. J Phys Chem A. 2014 Apr 10;118(14):2576-83. doi: 10.1021/jp411855b. Epub 2014 Apr 1. PubMed PMID: 24654701.

2: de Oliveira Filho JG, Sarria ALF, Ferreira LL, Caulfield JC, Powers SJ, Pickett JA, de León AAP, Birkett MA, Borges LMF. Quantification of brown dog tick repellents, 2-hexanone and benzaldehyde, and release from tick-resistant beagles, Canis lupus familiaris. J Chromatogr B Analyt Technol Biomed Life Sci. 2016 Jun 1;1022:64-69. doi: 10.1016/j.jchromb.2016.03.014. Epub 2016 Mar 16. PubMed PMID: 27085013.

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4: Hoshikawa T, Tanji K, Matsuo J, Ishibashi H. Intramolecular [2+2] cycloaddition of homoallylketenes to bicyclo[2.1.1]hexan-5-ones. Chem Pharm Bull (Tokyo). 2012;60(4):548-53. PubMed PMID: 22466740.

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7: Cowlen MS, Hewitt WR, Schroeder F. 2-hexanone potentiation of [14C]chloroform hepatotoxicity: covalent interaction of a reactive intermediate with rat liver phospholipid. Toxicol Appl Pharmacol. 1984 May;73(3):478-91. PubMed PMID: 6719463.

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9: Yi G, Teong SP, Zhang Y. The direct conversion of sugars into 2,5-furandicarboxylic acid in a triphasic system. ChemSusChem. 2015 Apr 13;8(7):1151-5. doi: 10.1002/cssc.201500118. Epub 2015 Mar 12. PubMed PMID: 25766123.

10: Raisbeck MF, Brown EM, Hewitt WR. Renal and hepatic interactions between 2-hexanone and carbon tetrachloride in F-344 rats. Toxicol Lett. 1986 Apr;31(1):15-21. PubMed PMID: 3715912.

11: Cowlen MS, Hewitt WR, Schroeder F. Mechanisms in 2-hexanone potentiation of chloroform hepatotoxicity. Toxicol Lett. 1984 Sep;22(3):293-9. PubMed PMID: 6091297.

12: Nomeir AA, Abou-Donia MB. Analysis of n-hexane, 2-hexanone, 2,5-hexanedione, and related chemicals by capillary gas chromatography and high-performance liquid chromatography. Anal Biochem. 1985 Dec;151(2):381-8. PubMed PMID: 4096376.

13: Kelce WR, Raisbeck MF, Ganjam VK. Gonadotoxic effects of 2-hexanone and 1,2-dibromo-3-chloropropane on the enzymatic activity of rat testicular 17 alpha-hydroxylase/C17,20-lyase. Toxicol Lett. 1990 Aug;52(3):331-8. PubMed PMID: 2389261.

14: Nakajima T, Elovaara E, Park SS, Gelboin HV, Vainio H. Immunochemical detection of cytochrome P450 isozymes induced in rat liver by n-hexane, 2-hexanone and acetonyl acetone. Arch Toxicol. 1991;65(7):542-7. PubMed PMID: 1781736.

15: Borghoff SJ, Poet TS, Green S, Davis J, Hughes B, Mensing T, Sarang SS, Lynch AM, Hard GC. Methyl isobutyl ketone exposure-related increases in specific measures of α2u-globulin (α2u) nephropathy in male rats along with in vitro evidence of reversible protein binding. Toxicology. 2015 Jul 3;333:1-13. doi: 10.1016/j.tox.2015.02.003. Epub 2015 Mar 19. PubMed PMID: 25797582.

16: Boyd AM, Kato HK, Komiyama T, Isaacson JS. Broadcasting of cortical activity to the olfactory bulb. Cell Rep. 2015 Feb 24;10(7):1032-9. doi: 10.1016/j.celrep.2015.01.047. Epub 2015 Feb 19. PubMed PMID: 25704808; PubMed Central PMCID: PMC4342299.

17: Hewitt LA, Ayotte P, Plaa GL. Modifications in rat hepatobiliary function following treatment with acetone, 2-butanone, 2-hexanone, mirex, or chlordecone and subsequently exposed to chloroform. Toxicol Appl Pharmacol. 1986 May;83(3):465-73. PubMed PMID: 2422788.

18: Sahlberg B, Gunnbjörnsdottir M, Soon A, Jogi R, Gislason T, Wieslander G, Janson C, Norback D. Airborne molds and bacteria, microbial volatile organic compounds (MVOC), plasticizers and formaldehyde in dwellings in three North European cities in relation to sick building syndrome (SBS). Sci Total Environ. 2013 Feb 1;444:433-40. doi: 10.1016/j.scitotenv.2012.10.114. Epub 2012 Dec 29. PubMed PMID: 23280302.

19: Lee HJ, Bae Y. Brushed block copolymer micelles with pH-sensitive pendant groups for controlled drug delivery. Pharm Res. 2013 Aug;30(8):2077-86. doi: 10.1007/s11095-013-1060-1. Epub 2013 May 2. PubMed PMID: 23636840.

20: Riedel SL, Brigham CJ, Budde CF, Bader J, Rha C, Stahl U, Sinskey AJ. Recovery of poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) from Ralstonia eutropha cultures with non-halogenated solvents. Biotechnol Bioeng. 2013 Feb;110(2):461-70. doi: 10.1002/bit.24713. Epub 2012 Sep 24. PubMed PMID: 22903730.