2-Hexanone
- CAS No.
- 591-78-6
- Chemical Name:
- 2-Hexanone
- Synonyms
- Hexan-2-one;METHYL BUTYL KETONE;BUTYL METHYL KETONE;METHYL N-BUTYL KETONE;2-Hexanon;Hexan-2-on;MNBK;2-HEXANONE;Hexanone-2;n-C4H9COCH3
- CBNumber:
- CB1682968
- Molecular Formula:
- C6H12O
- Molecular Weight:
- 100.16
- MDL Number:
- MFCD00009482
- MOL File:
- 591-78-6.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | -57 °C |
|---|---|
| Boiling point | 127 °C(lit.) |
| Density | 0.812 g/mL at 25 °C(lit.) |
| vapor pressure | 10 mm Hg ( 39 °C) |
| refractive index |
n |
| Flash point | 95 °F |
| storage temp. | 2-8°C |
| solubility | Soluble in acetone, ethanol, and ether (Weast, 1986) |
| pka | -8.30 (quoted, Riddick et al., 1986) |
| form | Liquid |
| color | Clear colorless to light yellow |
| Odor | at 1.00 % in dipropylene glycol. fruity fungal meaty buttery |
| Odor Type | fruity |
| Odor Threshold | 0.024ppm |
| Water Solubility | 2 g/100 mL (20 ºC) |
| Specific Heat Capacity | Cp(liquid): 2.13 J/(g·K), at 25℃ |
| Thermal Conductivity | 0.134 W/(m·K) at 25 ℃ |
| Merck | 14,6033 |
| BRN | 1737676 |
| Henry's Law Constant | 24.4 at 37 °C (static headspace-GC, Bylaite et al., 2004) |
| Exposure limits |
ACGIH:TLV-TWA 5 ppm (20 mg/m3); TLV-STEL 10 ppm (40 mg/m3) OSHA:PEL-TWA 100 ppm (410 mg/m3) NIOSH:REL-TWA 1 ppm |
| Dielectric constant | 14.6(15℃) |
| Stability | Stable. Flammable. Incompatible with oxidizing agents, strong bases, reducing agents. |
| Major Application |
cleaning products cosmetics environmental food and beverages personal care |
| InChI | 1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3 |
| InChIKey | QQZOPKMRPOGIEB-UHFFFAOYSA-N |
| SMILES | CCCCC(C)=O |
| LogP | 1.380 |
| CAS DataBase Reference | 591-78-6(CAS DataBase Reference) |
| EWG's Food Scores | 2-3 |
| FDA UNII | 6QDY60NH6N |
| NIST Chemistry Reference | 2-Hexanone(591-78-6) |
| EPA Substance Registry System | 2-Hexanone (591-78-6) |
| Toxicological Profile|ATSDR | 2-Hexanone|Toxicological Profile|ATSDR |
| UNSPSC Code | 77101502 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS02,GHS07,GHS08 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H303+H313-H319-H361-H372-H335-H336-H305-H226 | |||||||||
| Precautionary statements | P501-P270-P202-P240-P260-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P312-P331-P337+P313-P305+P351+P338-P303+P361+P353-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405 | |||||||||
| target organs | Central nervous system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | T,F | |||||||||
| Risk Statements | 10-48/23-62-67-39/23/24/25-23/24/25-11 | |||||||||
| Safety Statements | 36/37-45-16-7 | |||||||||
| RIDADR | UN 1224 3/PG 3 | |||||||||
| OEB | B | |||||||||
| OEL | TWA: 1 ppm (4 mg/m3) | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | MP1400000 | |||||||||
| Autoignition Temperature | 530 °C | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29141900 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Flam. Liq. 3 Repr. 2 STOT RE 1 STOT SE 3 |
|||||||||
| Hazardous Substances Data | 591-78-6(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in rats: 2.59 g/kg (Smyth) | |||||||||
| IDLA | 1,600 ppm | |||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
2-Hexanone price More Price(28)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | PHR3502 | 2-Hexanone Pharmaceutical Secondary Standard; Certified Reference Material | 591-78-6 | 1mL | $142 | 2026-04-30 | Buy |
| Sigma-Aldrich | 47733-U | 2-Hexanone analytical standard | 591-78-6 | 5ml | $34.3 | 2026-04-30 | Buy |
| Sigma-Aldrich | 02473 | 2-Hexanone analytical standard | 591-78-6 | 5ml | $152 | 2026-04-30 | Buy |
| Sigma-Aldrich | 103004 | 2-Hexanone reagent grade, 98% | 591-78-6 | 10g | $55.4 | 2025-07-31 | Buy |
| TCI Chemical | H0114 | 2-Hexanone >98.0%(GC) | 591-78-6 | 25mL | $39 | 2026-04-30 | Buy |
2-Hexanone Chemical Properties, Uses, Production
Description
2-Hexanone has been used as a solvent for both cellulose- and resin-based coating systems. In the early 1970s, a number of workers in the print department of a coated fabrics plant developed severe peripheral neuropathy from an unknown cause. In search of an etiological agent, and in the absence of other neurotoxicants, 2-hexanone was implicated as it was recently substituted for methyl isobutyl ketone in the manufacturing process. Similar observations in workers exposed to 2-hexanone may have resulted in the decline in production and use in the United States.
Chemical Properties
2-Hexanone is a colorless to pale yellow liquid with a sharp odor. It dissolves very easily in water and is miscible in ethanol, methanol, and benzene. 2-Hexanone evaporates easily into the air as a vapor. It is stable, flammable, and incompatible with oxidizing agents, strong bases, and reducing agents. 2-Hexanone is a waste product of wood pulping, coal gasifi cation, and oil shale operations. Formerly, 2-hexanone was in use as a paint and paint thinner with other chemical substances, and to dissolve oils and waxes.and is used as a solvent and organic syn- thesis intermediates. However, the industrial uses of 2-hexanone is now very much restricted.
Chemical Properties
MNBK is a colorless liquid with an acetonelike odor. The odor threshold is 0.08 ppm.
Physical properties
Clear, colorless to pale yellow, flammable liquid with an odor resembling acetone and 2-butanone. Nagata and Takeuchi (1990) reported an odor threshold concentration of 24 ppbv. Amoore and Hautala (1983) reported odor threshold concentrations of 250 μg/L and 76 ppbv in water and air, respectively.
Uses
Methyl butyl ketone (MBK) is used as asolvent for nitrocellulose, resins, lacquers,oils, fats, and waxes.
Uses
2-Hexanone is used in various organic chemical syntheses. It is used in the synthesis of (+/-)-monomorine. It is also used in the preparation of alcohols by transfer hydrogenation of ketones.
Uses
As industrial solvents for adhesives, lacquers, paint removers, and acrylic coatings
Definition
ChEBI: 2-Oxohexane is a ketone.
Production Methods
MnBK can be produced by a reaction between acetic acid and ethylene under pressure MnBK can be produced by a reaction between acetic acid and ethylene under pressure.
Synthesis Reference(s)
Tetrahedron Letters, 24, p. 5181, 1983 DOI: 10.1016/S0040-4039(00)88391-4
Journal of the American Chemical Society, 89, p. 5708, 1967 DOI: 10.1021/ja00998a040
General Description
A clear colorless liquid. Flash point 95°F. Less dense than water. Vapors heavier than air.
Air & Water Reactions
Highly flammable. Slightly soluble in water.
Reactivity Profile
2-Hexanone is incompatible with oxidizing agents. 2-Hexanone may also react with strong bases and reducing agents.
Hazard
Flammable, moderate fire risk, explosive limits 1.2–8% in air. Irritant to eyes and mucous membranes, narcotic in high concentration, absorbed by skin. Causes peripheral neuropathy and testicular damage.
Health Hazard
Inhalation of high concentrations of vapor may result in narcosis; peripheral neuropathy may develop. Ingestion of large amounts may cause some systemic injury. Contact with eyes causes mild to moderate irritation. Liquid irritates skin; prolonged or repeated contact may cause defatting of the skin with resultant dermatitis.
Health Hazard
Chronic exposure to MBK via inhalationor skin absorption can cause disordersof the peripheral nervous system andneuropathic diseases. The symptoms inhumans, depending on the severity ofexposure, were parasthesias in the handsor feet, muscle weaknesses, weakness inankles and hand, and difficulty in grasping heavy objects. Animal studies indicatethat prolonged exposure to this compoundat a concentration of 200–1300 ppm for4–12 weeks can result in neuropathy.Neurotoxicity is attributed to its primarymetabolite, 2,5-hexanedione. Improvementin conditions can occur slowly over monthsafter cessation of exposure. Acute exposureto high concentrations, 1000 ppm, for severalminutes can cause irritation of the eyes andnose in humans. Inhalation to 20,000 ppmfor 30 minutes caused narcosis in guineapigs and prolonged exposure for 70 minuteswas lethal. The acute oral toxicity in ratswas low.
LD50 value, oral (rats): 2600 mg/kg.
Fire Hazard
2-Hexanone is flammable.
Potential Exposure
The material is used as a solvent
First aid
If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
Environmental Fate
Biological. Using the BOD technique to measure biodegradation, the mean 5-d BOD value (mM
BOD/mM 2-hexanone) and ThOD were 5.22 and 61.4%, respectively (Vaishnav et al., 1987).
Photolytic. A second-order photooxidation rate constant of 8.97 x 10-12 cm3/moleculesec for the
reaction of 2-hexanone and OH radicals in the atmosphere at 299 K was reported by Atkinson
(1985).
Chemical/Physical. 2-Hexanone will not hydrolyze because it has no hydrolyzable functional
group (Kollig, 1995).
storage
2-Hexanone should be kept stored in a tightly closed container, in a cool, dry place, away from sources of ignition.
Shipping
UN1224 Ketones, liquid, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid, Technical Name Required
Toxicity evaluation
Regardless of the route of exposure, both human and animal studies indicate that the nervous system is the target organ of 2-hexanone toxicity with its metabolite, 2,5-hexanedione, serving as the neurotoxic agent. 2,5-Hexanedione binds covalently to axonal components of the nerve tissue. In vitro studies have shown that this metabolite reacts with the nucleophilic lysine 3-amino groups to ultimately form 2,5-dimethylpyrrole adducts with neurofilaments. Neurofilament aggregates concentrate in the distal subterminal axon, resulting in axonal swelling, or distal axonopathy, just proximal to the nodes of Ranvier. These reactions may lead to the manifestation of peripheral neuropathy.
Incompatibilities
Violent reaction with oxidizers. May form unstable peroxides. Attacks plastics.
Toxics Screening Level
The Initial Threshold Screening Level (ITSL) for methyl-n-butyl ketone is 30 μg/m3 with annual averaging time.
Waste Disposal
Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
Precautions
Occupational workers should be careful when using and handling 2-hexanone. Workers should wash thoroughly after handling the chemical substance. Workers should avoid contact of 2-hexanone with the eyes, skin, and clothing and also avoid contact with heat, sparks, and flame.
2-Hexanone Preparation Products And Raw materials
Raw materials
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Preparation Products
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| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Wuhan Yuqing Jiaheng Pharmaceutical Co., Ltd | 027-83855310 13476018176 | 408614617@qq.com | China | 998 | 58 |
| SHANGHAI BANGCHENG CHEMICAL Co.,Ltd. | 021-69106960 13701823997 | 13701823733@163.com | China | 4634 | 60 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
| Shanghai Harvest Chemical Industrial Co., Ltd. | 15721252604 17321035817 | sales@harvest-chem.com | China | 2829 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Chemsky（shanghai）International Co.,Ltd. | 021-50135380 | shchemsky@sina.com | China | 32273 | 50 |
View Latest Price from 2-Hexanone manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-05-15 | 2-Hexanone
591-78-6
|
$1.50 | 1g | 99.0% Min | 100 Tons | Shaanxi Didu New Materials Co. Ltd | |
 |
2020-02-17 | 2-Hexanone
591-78-6
|
$1.00 | 1KG | 99% | 200kgs | Career Henan Chemical Co |
-
- 2-Hexanone
591-78-6
- $1.50
- 99.0% Min
- Shaanxi Didu New Materials Co. Ltd
-
- 2-Hexanone
591-78-6
- $1.00
- 99%
- Career Henan Chemical Co
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