2-Oxepanone
Epsilon-Caprolactone monomer
CAS: 502-44-3
Molecular Formula: C6H10O2
2-Oxepanone - Names and Identifiers
| Name | Epsilon-Caprolactone monomer |
| Synonyms | 2-Oxepanone hexan-6-olide ε-Caprolactone 5-Caprolactone 6-Hexanolactone 6-Hexanalactone 6-Hexanolacetone 2-Oxacycloheptanone epsilon-Caprolactone dimethyl hexanedioate 6-Hydroxyhexan-6-olide 6-Caprolactone monomer 2-oxo-hexamethyleneoxid Epsilon-Caprolactone monomer 6-hydroxyhexanoicacidlactone 6-Hydroxyhexanoic acid lactone |
| CAS | 502-44-3 |
| EINECS | 207-938-1 |
| InChI | InChI=1/C15H16Cl3N3O2.C6H10O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;7-6-4-2-1-3-5-8-6/h3,5,8-10H,2,4,6-7H2,1H3;1-5H2 |
| InChIKey | PAPBSGBWRJIAAV-UHFFFAOYSA-N |
2-Oxepanone - Physico-chemical Properties
| Molecular Formula | C6H10O2 |
| Molar Mass | 114.14 |
| Density | 1.03g/mLat 25°C(lit.) |
| Melting Point | -1 °C |
| Boling Point | 96-97.5°C10mm Hg(lit.) |
| Flash Point | 229°F |
| Water Solubility | >1000 MG/L (20 ºC) |
| Solubility | Chloroform, Ethyl Acetate |
| Vapor Presure | 0.01 mm Hg ( 20 °C) |
| Vapor Density | 3.9 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless, yellowing on aging |
| BRN | 106919 |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.2-9%(V) |
| Refractive Index | n20/D 1.463(lit.) |
| MDL | MFCD00003267 |
| Physical and Chemical Properties | Colorless oily liquid, with aromatic odor, unstable, flammable, easy to polymerize and heat to form a dimer. Boiling point 215-216 ℃,96-97.5(1.33kPa),98-99 ℃(266.644), relative density 1.0693(20/4 ℃), refractive index 1.4495, ignition point 127 ℃, freezing point -18 ℃. It is easy to react with organic nitrides, and cannot be contacted with inorganic acids, organic acids, bases, acidic and basic salts, water and water vapor during storage, nor can it be close to copper and zinc. Nitrogen should be filled and a small amount of nitrite stabilizer should be added during storage. |
| Use | Used to make polycaprolactone, ε-caprolactam, adhesive, elastomer, etc. |
2-Oxepanone - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R36/38 - Irritating to eyes and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 2 |
| RTECS | MO8400000 |
| TSCA | Yes |
| HS Code | 29322090 |
| Toxicity | LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit 5990 mg/kg |
2-Oxepanone - Reference
| Reference Show more | 1. [IF=10.041] Ying Li et al."Palliating the escalated post-PDT tumor hypoxia with a dual cascade oxygenation nanocomplex."Appl Mater Today. 2022 Mar;26:101287 |
2-Oxepanone - Nature
Open Data Verified Data
colorless oily liquid, with aromatic odor, unstable, flammable, easy to polymerize, and heated to form a dimer. Boiling point 215~216 ℃,98~99 ℃(266. 644Pa). Ignition point: 127 ℃. Freezing point -18 °c. The relative density was 1. 0693. Refractive index 4495. It is easy to react with organic nitrides, and cannot be contacted with inorganic acids, organic acids, bases, acidic and basic salts, water and water vapor during storage, nor can it be close to copper and zinc.
Last Update：2024-01-02 23:10:35
2-Oxepanone - Preparation Method
Open Data Verified Data
using acetaldehyde as raw material and ethyl acetate as solvent, peroxyacetic acid was prepared by ozone oxidation, and then reacted with cyclohexanone to obtain crude product. The crude caprolactone was vacuum distilled to obtain qualified product.
Last Update：2022-01-01 10:38:56
2-Oxepanone - Introduction
Easily soluble in water, ethanol, benzene. Insoluble in petroleum ether. Heat to become dimer or polymer polyester. Heating in the presence of magnesium chloride can depolymerate.
Last Update：2022-10-16 17:25:36
2-Oxepanone - Use
Open Data Verified Data
This product is a new type of polyester monomer, mainly used in the production of synthetic rubber, synthetic fiber, synthetic resin. Can be prepared caprolactam, adipic acid, can be mixed with a variety of resin and improve its gloss, transparency and anti-stick. Adhesives, coatings, epoxy resin diluents and solvents can be prepared.
Last Update：2022-01-01 10:38:55
2-Oxepanone - Safety
Open Data Verified Data
This product has low toxicity, rats by mouth LD504290mg/kg. The operator should wear protective gear. Measures can be taken according to the method of protection against toxic chemicals.
This product is easy to react with organic compounds, storage should not be with inorganic acids, organic acids, alkali, acidic and alkaline salts, water and water vapor contact, can not be close to zinc, copper. Therefore, it cannot be stored and transported in galvanized iron barrels or copper and zinc containers. It can be packaged in an aluminum barrel. When storing the need to be filled with nitrogen, and put a small amount of phosphite stabilizer. According to the provisions of flammable and toxic chemicals storage and transportation.
Last Update：2022-01-01 10:38:56
2-Oxepanone - Reference Information
| LogP | 0.32 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | 6-caprolactone is a colorless oily liquid with aromatic smell, unstable, flammable, easy to polymerize, and heated into dipolymers. |
| use | this product is a new type of polyester monomer, mainly used in the production of synthetic rubber, synthetic fiber and synthetic resin; it is also used in the manufacture of caprolactam, adipic acid, adhesive, coating, epoxy resin diluent and solvent; it can also be blended with various resins to improve its gloss, transparency and anti-sticking. there is information provided by customers, which can be used for medical materials, simulating human skin, etc. used for making polycaprolactone, ε-caprolactam, adhesive, elastomer, etc. |
| production method | using acetaldehyde as raw material and ethyl acetate as solvent, peracetic acid is prepared by ozone oxidation, and then crude product is prepared by reaction with cyclohexanone. crude caprolactone is obtained by vacuum distillation. Industrial product content ω-caprolactone content ≥ 98%. Cyclohexanone can also be oxidized with peracetic acid at 50 ℃ and normal pressure to prepare this product, which is selectively 90%. Raw material consumption quota: hexanone 1500kg/t, acetaldehyde 3000kg/t, acetic acid 1000kg/t. |
| spontaneous combustion temperature | 204°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:05:12
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Product Name: Epsilon-Caprolactone monomer Request for quotation
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