Cycloheptanone
Cycloheptanone
CAS: 502-42-1
Molecular Formula: C7H12O
Cycloheptanone - Names and Identifiers
| Name | Cycloheptanone |
| Synonyms | SUBEROL SUBERON SUBERONE Cycloheptanon Cycloheptanone CYCLOHEPTANONE SUBERYL ALCOHOL Ketocycloheptane OXOHEPTAMETHYLENE Ketoheptamethylene 2,4-Dibromo-3-(Difluoromethoxy)Benzoic Acid 2,4-Dichloro-5-Fluoro-3-Hydroxybenzoic Acid |
| CAS | 502-42-1 |
| EINECS | 207-937-6 |
| InChI | InChI=1/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2 |
Cycloheptanone - Physico-chemical Properties
| Molecular Formula | C7H12O |
| Molar Mass | 112.17 |
| Density | 0.951 g/mL at 25 °C (lit.) |
| Melting Point | -21°C |
| Boling Point | 179 °C (lit.) |
| Flash Point | 160°F |
| Water Solubility | INSOLUBLE |
| Vapor Presure | 0.915mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 0.951 (20℃) |
| Color | Clear colorless to yellow |
| Merck | 14,2722 |
| BRN | 969823 |
| Storage Condition | Flammables area |
| Refractive Index | n20/D 1.477(lit.) |
| Physical and Chemical Properties | Colorless oily liquid. The boiling point is 79-180 °c, the relative density is 0.9508(20 °c), the refractive index is 1.4608, and the flash point is 55 °c. Soluble in alcohol and ether, almost insoluble in water, mint odor. |
| Use | For organic synthesis, such as the synthesis of belladonna ketone |
Cycloheptanone - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R22 - Harmful if swallowed |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. |
| UN IDs | UN 1987 3/PG 3 |
| WGK Germany | 3 |
| RTECS | GU3325000 |
| TSCA | Yes |
| HS Code | 29142990 |
| Hazard Note | Irritant |
| Hazard Class | 3 |
| Packing Group | III |
Cycloheptanone - Nature
Open Data Verified Data
colorless oily liquid. Boiling point 179~180 deg C. Relative density 0. 9508 (20 ℃), flash point 55 ℃. Almost insoluble in water, soluble in alcohol and ether.
Last Update：2024-01-02 23:10:35
Cycloheptanone - Preparation Method
Open Data Verified Data
obtained by the addition, reduction, diazotization and ring extension of cyclohexanone and nitromethane. The process is as follows: methanol, nitromethane and cyclohexanone are added to the reaction pot and stirred, the alkali solution is added dropwise at 5~10 ℃, cooled to -4 ℃ to react th, the precipitate is filtered out, and water is added to dissolve, acidified with acetic acid to pH = 4~5, then heated and dissolved, and left to stand, then separated the crude oil from the oil layer, and then reduced the crude oil with iron powder to obtain the reduced solution of methylcyclohexanol; sodium nitrite solution was added and after diazotization at 0-8 °c, the temperature was raised to 25 °c and stirred 1. 5h, then the temperature is raised to 85 ℃, then the steam distillation is carried out, the distillate is left to stand, the oil layer is separated and distilled under reduced pressure, and 60 ℃ is collected (1. 87kPa) fraction, cycloheptanone product.
Last Update：2022-01-01 10:38:45
Cycloheptanone - Use
Open Data Verified Data
This product is used in organic synthesis, and can be used to prepare cycloheptanone oxime by oximation.
Last Update：2022-01-01 10:38:44
Cycloheptanone - Safety
Open Data Verified Data
- flammable. Flash point 55 ° C, in case of high heat, open flame, oxidant has caused the risk of combustion. Toxic. Mouse abdominal LD50:750mg/kg.
- packed in iron drum. Store in a cool, ventilated warehouse to avoid direct sunlight. Cut off all power supply when leaking, wear gas mask and gloves, and absorb with sand.
Last Update：2022-01-01 10:38:45
Cycloheptanone - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | Used for the synthesis of organic substances such as belladonna ketone This product is used for organic synthesis, and cycloheptanone oxime can be produced by oxime. Used in organic synthesis, such as synthesizing belladonna ketone, etc. |
| Production method | It is obtained by the addition, reduction, diazotization and ring expansion of cyclohexanone and nitromethane. The technological process is as follows: methanol, nitromethane and cyclohexanone are added into the reaction pot and stirred, lye is added dropwise at 5-10 ℃, cooled to -4 ℃ for 1h, precipitate is filtered out, water is added to dissolve, acidified to pH = 4-5 with acetic acid, then heated to dissolve, standing still, and the oil layer is divided to obtain crude nitromethylcyclohexanol oil; Then reduce the crude oil with iron powder to obtain aminomecyclohexanol reducing solution; Add sodium nitrite solution, after diazotization at 0-8 ℃, the temperature is raised to 25 ℃ and stirred for 1.5h, then the temperature is raised to 85 ℃, then steam distillation is carried out, the distillate is standing, the oil layer is divided into reduced pressure distillation, and the fraction at 60 ℃(1.87kPa) is collected to obtain the finished product of cycloheptanone. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | abdominal cavity-mouse LD50: 750 mg/kg |
| flammability hazard characteristics | combustible in case of open flame, high temperature and strong oxidant; Stimulating smoke produced by combustion |
| storage and transportation characteristics | complete packaging, light and light; warehouse ventilation, away from open flames, high temperature, separate storage from oxidant |
| fire extinguishing agent | foam, carbon dioxide, dry powder, sand, 1211 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:32:06
Supplier List
Product Name: Cycloheptanone Request for quotation
CAS: 502-42-1
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
CAS: 502-42-1
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Product Name: Cycloheptanone Request for quotation
CAS: 502-42-1
Tel: 0086-551-65418684
Email: sales@tnjchem.com
info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840
Wechat: 0086 189 4982 3763
WhatsApp: 0086 189 4982 3763
Product List: View Catalog
CAS: 502-42-1
Tel: 0086-551-65418684
Email: sales@tnjchem.com
info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840
Wechat: 0086 189 4982 3763
WhatsApp: 0086 189 4982 3763
Product List: View Catalog
Product Name: Cycloheptanone Request for quotation
CAS: 502-42-1
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
CAS: 502-42-1
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Product Name: Cycloheptanone Request for quotation
CAS: 502-42-1
Tel: 0086-551-65418684
Email: sales@tnjchem.com
info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840
Wechat: 0086 189 4982 3763
WhatsApp: 0086 189 4982 3763
Product List: View Catalog
CAS: 502-42-1
Tel: 0086-551-65418684
Email: sales@tnjchem.com
info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840
Wechat: 0086 189 4982 3763
WhatsApp: 0086 189 4982 3763
Product List: View Catalog
View History