heptan-2-one
2-Heptanone
CAS: 110-43-0
Molecular Formula: C7H14O
heptan-2-one - Names and Identifiers
| Name | 2-Heptanone |
| Synonyms | Ick MAK hICK LCK2 fj04c02 KIAA0936 kinase ICK 2-Heptanal 2-Heptanon 2-Heptanone heptan-2-one 2-Oxoheptane 2-Ketoheptane 1-Methylhexanal Methyl amyl ketone Amyl-methyl-cetone n-Amyl methyl ketone Methyl n-pentyl ketone Intestinal cell kinase Laryngeal cancer kinase 2 amyl-methyl-cetone(french) |
| CAS | 110-43-0 |
| EINECS | 203-767-1 |
| InChI | InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 |
heptan-2-one - Physico-chemical Properties
| Molecular Formula | C7H14O |
| Molar Mass | 114.19 |
| Density | 0.82 g/mL at 25 °C (lit.) |
| Melting Point | -35 °C (lit.) |
| Boling Point | 149-150 °C (lit.) |
| Flash Point | 106°F |
| JECFA Number | 283 |
| Water Solubility | 4.3 g/L (20 ºC) |
| Solubility | water: soluble4.21 g/L at 20°C |
| Vapor Presure | 2.14 mm Hg ( 20 °C) |
| Vapor Density | 3.94 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Exposure Limit | TLV-TWA 235 mg/m3 (50 ppm) (ACGIH),465 mg/m3 (100 ppm) (NIOSH).. |
| Merck | 14,4663 |
| BRN | 1699063 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. |
| Explosive Limit | 1.11-7.9%(V) |
| Refractive Index | n20/D 1.408(lit.) |
| Physical and Chemical Properties | Character colorless, with flavor, stable liquid. melting point -35 ℃ boiling point 151.5 ℃ relative density 0.8166 refractive index 1.4067 solubility slightly soluble in water. |
| Use | Widely used in industrial solvents, fibers, pharmaceuticals, pesticides, spices, chemical and other fields |
heptan-2-one - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R38 - Irritating to the skin R40 - Limited evidence of a carcinogenic effect R48/20/22 - R20/22 - Harmful by inhalation and if swallowed. R10 - Flammable |
| Safety Description | S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2810 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | MJ5250000 |
| TSCA | Yes |
| HS Code | 29141990 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 1670 mg/kg LD50 dermal Rabbit 10332 mg/kg |
heptan-2-one - Nature
Open Data Verified Data
colorless, fragrant, stable liquid. Slightly soluble in water. Melting Point -35 °c. Boiling point 151.5 °c. The relative density was 0.8166. Refractive index 4067. Viscosity (25 °c) 0.766MPA. s. Flash point 47. Very slightly soluble in water, soluble in ethanol, ether.
Last Update：2024-01-02 23:10:35
heptan-2-one - Preparation Method
Open Data Verified Data
- the extraction method is obtained by extracting clove oil or cinnamon oil.
- 2-heptanol method is prepared by dehydrogenation of 2-heptanol.
- n-butyl acetoacetate method.
Last Update：2022-01-01 10:17:03
heptan-2-one - Use
Open Data Verified Data
It is used for the synthesis of industrial solvents and fragrances, such as the components used to make caryophyllum oil.
Last Update：2022-01-01 10:17:02
heptan-2-one - Safety
Open Data Verified Data
The irritant and toxicity of this product is far greater than that of 2 pentanone. The lethal concentration LC in air to rats was 4000 x 10 -6, 4 times greater than that of pentanone. Production equipment should be closed, the workshop should have good ventilation. Operators should wear protective equipment.
The use of iron drum packaging, storage and transportation pay attention to fire, away from the fire, heat source, the package should be labeled with flammable materials. According to the provisions of the storage and transportation of toxic and flammable chemicals.
Last Update：2022-01-01 10:17:03
heptan-2-one - Reference Information
| FEMA | 2544 | 2-HEPTANONE |
| olfactory Threshold | 0.0068ppm |
| Henry's Law Constant | 3.59 at 37 °C (static headspace-GC, Bylaite et al., 2004) |
| LogP | 2.26 at 30℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | take 0.5mol/L hydroxylamine hydrochloride 65ml and 0.5mol/L triethanolamine 50.0 ml, put into a suitable heat-resistant, pressure-resistant; Bottle, the bottle should be tightly fixed. The nitrogen gas was passed carefully through a glass tube for 2min to dislodge the air. The outlet end of the glass tube should be placed immediately above the liquid surface. 1.2g of a sample was accurately measured with a weighing pipette and put into the mixed solution in the above-mentioned pressure bottle. The reaction was allowed to stand at room temperature for 60 min with occasional shaking. Remove the lid to prevent loss of content. With 0.5 mol/I. Sulfuric acid was titrated to a bluish Blue end point. Blank titration was performed at the same time. Each Ml of 0.5 mol/L sulfuric acid corresponds to 57.10 mg of 2-heptanone (C7H14O). Method two according to GT-10-4 gas chromatography with non-polar column method I determination. |
| toxicity | GRAS(FEMA). LD501670 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 2.7; Cold drink 6.0; Candy 6.4; Baked goods 13; condiment 10~25. Moderate limits (FDA § 172.515,2000). |
| Use | micro-amounts are suitable for carnation or other octyl fragrance types, which can be shared with Artemisia or basil, seashell oil in herb fragrance types, the formation of a new head fragrance. With the spice, fruit flavor can coordinate and good synthesis. In the food flavor, for the banana type food flavor can increase the milk fat flavor, also suitable for coconut, cream, cheese flavor food flavor. GB 2760-96 provides for the permitted use of flavorants. Mainly used in the preparation of cheese, banana, cream and coconut flavor. It is used for the synthesis of industrial solvents and fragrances, such as the components used to make caryophyllum oil. widely used in industrial solvent, fiber, medicine, pesticide, perfume chemical industry and other fields used in organic synthesis; Trace suitable for carnation or other octanoaromatic type, in the herb fragrance can be shared with the grass Artemisia or basil, Sea oil, the formation of new head fragrance. With the spice, fruit flavor can coordinate and good synthesis. In the food flavor, for the banana type food flavor can increase the milk fat flavor, also suitable for coconut, cream, cheese flavor food flavor; For industrial solvents, fiber, medicine, pesticide, perfume and Chemical Industry |
| production method | 1. Obtained by saponification of ethyl butyl acetoacetate. Ethyl butyl acetoacetate was added to 5% sodium hydroxide solution and stirred at room temperature for 4H. The layers were allowed to stand and separated. The aqueous layer reacts with 50% sulfuric acid, and as the reaction becomes moderate to the release of carbon dioxide, the reaction is slowly heated to boil, distilling from 0.33 to 0.5% of the original total volume. The distillate was made alkaline with solid sodium hydroxide and then distilled off 80-90%. The distillate is layered, the ketone is separated into layers, and the water layer is distilled out for one third. After the ketone is removed from the distilled material, the water layer is further distilled out for one third, which is repeated in this way, the resulting 2-heptanone was collected as far as possible. The resulting 2-heptanone was combined and washed with calcium chloride solution. After drying, the product was obtained by distillation with a yield of 50-60%. 2. The extraction method is obtained by extracting clove oil or cinnamon oil. 3.2-heptanol method from 2-heptanol dehydrogenation. at room temperature with sodium hydroxide saponification of butyl acetyl ethyl acetate, then add sulfuric acid, heating distillation, distillate with sodium hydroxide neutralization, distillation, plus calcium chloride concentrated solution to remove residual ethanol, after drying and distillation. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1670 mg/kg; Oral-mouse LD50: 730 mg/kg |
| stimulation data | Skin-rabbit 14 mg/24 h mild |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | flammable in open flame, high temperature, strong oxidant; combustion emissions |
| storage and transportation characteristics | The package is complete, light, light; The warehouse is ventilated, away from open flame, high temperature, separate from oxidant |
| fire extinguishing agent | foam, carbon dioxide, dry powder |
| Occupational Standard | 50 PPM TLV-TWA (230 mg/m3); sel 350 mg/m3 |
| spontaneous combustion temperature | 739 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentration | 800 ppm |
Last Update：2024-04-09 15:16:45
Supplier List
Spot supply
Product Name: 2-Heptanone Request for quotationCAS: 110-43-0
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3787852685
Spot supply
Product Name: Lactic Acid Impurity 17 Visit Supplier Webpage Request for quotationCAS: 110-43-0
Tel: 0714-3999186
Email: 2853786052@qq.com
Mobile: 86+15671228036
QQ: 2853786052
Wechat: 15671228036
Product Name: 2-Heptanone Request for quotation
CAS: 110-43-0
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
CAS: 110-43-0
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Spot supply
Product Name: 2-Heptanone Request for quotationCAS: 110-43-0
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3787852685
Spot supply
Product Name: Lactic Acid Impurity 17 Visit Supplier Webpage Request for quotationCAS: 110-43-0
Tel: 0714-3999186
Email: 2853786052@qq.com
Mobile: 86+15671228036
QQ: 2853786052
Wechat: 15671228036
Product Name: 2-Heptanone Request for quotation
CAS: 110-43-0
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
CAS: 110-43-0
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
View History