Basic information
- Name:
Cyclohexanone
- CAS No.:
108-94-1
- Molecular Structure:
- Formula:
- C6H10O
- Molecular Weight:
- 98.16
- Synonyms:
- AI3-00041;Anon;Anone;CCRIS 5897;Cicloesanone;Cicloesanone [Italian];Cyclohexanon;Cyclohexyl ketone;Cykloheksanon;Cykloheksanon [Polish];Hexanon;
- EINECS:
- 203-631-1
- Density:
- 0.947 g/cm3
- Melting Point:
- -16.4 °C
- Boiling Point:
- 155.65 °C
- Flash Point:
- 44 °C
- Solubility:
- Water solubility: 150 g/L (10 °C)
- Appearance:
- colourless liquid
- Hazard Symbols:
Xn- Risk Codes:
- 10-20
- Safety Description:
- 25 Details
- Transport Information:
- UN 1915 3/PG 3
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
OSHA PEL: TWA 25 ppm (skin)
ACGIH TLV: TWA 20 ppm, STEL 50 ppm (skin); Confirmed Animal Carcinogen
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
NIOSH REL: (Ketone (Cyclohexanone)) TWA 100 mg/m3
DOT Classification: 3; Label: Flammable Liquid
Analytical Methods
For occupational chemical analysis use OSHA: #01 or NIOSH: Ketones I (Desorption in CS2), 1300.
Specification
Cyclohexanone, with the CAS register number 108-94-1, is a colorless to pale yellow liquid with a pleasant odor. It is the organic compound with the formula C6H10O. Its EINECS register number is 203-631-1. Cyclohexanone is slightly soluble in water (5-10 g/100 mL), but miscible with ethanol. The substance is stable and combustible, which is incompatible with strong oxidizing agents.
Properties: Cyclohexanone can form an explosive peroxide with H2O2 and react vigorously with oxidizing materials, such as nitric acid. It is easily ignited by heat, sparks or flames. It will form vapors when it is mixed with air. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas. Its container may explode when heated.
Preparation: Cyclohexanone can be prepared from cyclohexanol by oxidation with chromic oxide. In addition, it can be produced by the partial hydrogenation of phenol:
C6H5OH + 2 H2 → (CH2)5CO
Besides, Cyclohexanone is also produced by the oxidation of cyclohexane in air, typically using cobalt catalysts:
C6H12 + O2 → (CH2)5CO + H2O
Uses: The great majority of Cyclohexanone is used as the precursors in production of adipic acid, caprolactam, Nylon 6,6 and Nylon 6. It can be used to make nylon, as a chemical reaction medium, and as a solvent, for instance, used in paint, especially in the paint which contains nitrocellulose, polymer or copolymer of chloroethene and polymer of methylacrylic acid ester. Cyclohexanone can also be used in dyeing and as levelling agent of faded light silk.
When you are using Cyclohexanone, you should be very cautious about it. The substance is flammable and harmful, which is harmful by inhalation. What's more, you must avoid contact with your eyes.
You can still convert the following datas into molecular structure of Cyclohexanone:
(1)Canonical SMILES: C1CCC(=O)CC1
(2)InChI: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
(3)InChIKey: JHIVVAPYMSGYDF-UHFFFAOYSA-N
Toxicity of Cyclohexanone:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| frog | LDLo | subcutaneous | 1900mg/kg (1900mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903. |
| guinea pig | LCLo | inhalation | 400ppm/4H (400ppm) | National Technical Information Service. Vol. AD-A066-307, | |
| guinea pig | LDLo | intraperitoneal | 760mg/kg (760mg/kg) | National Technical Information Service. Vol. AD-A066-307, | |
| human | TCLo | inhalation | 75ppm (75ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943. |
| mammal (species unspecified) | LC50 | inhalation | 25gm/m3 (25000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
| mammal (species unspecified) | LD50 | oral | 3gm/kg (3000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
| monkey | LDLo | intravenous | 284mg/kg (284mg/kg) | Toxicology and Applied Pharmacology. Vol. 37, Pg. 115, 1976. | |
| mouse | LCLo | inhalation | 19200mg/m3/90 (19200mg/m3) | GASTROINTESTINAL: OTHER CHANGES | Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979. |
| mouse | LD50 | intraperitoneal | 1230mg/kg (1230mg/kg) | GASTROINTESTINAL: OTHER CHANGES | Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979. |
| mouse | LD50 | oral | 1400mg/kg (1400mg/kg) | National Technical Information Service. Vol. AD-A066-307, | |
| mouse | LDLo | subcutaneous | 1300mg/kg (1300mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: ATAXIA | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903. |
| rabbit | LD50 | intraperitoneal | 1540mg/kg (1540mg/kg) | GASTROINTESTINAL: OTHER CHANGES | Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979. |
| rabbit | LD50 | skin | 1mL/kg (1mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
| rabbit | LDLo | oral | 1600mg/kg (1600mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 199, 1943. |
| rat | LC50 | inhalation | 8000ppm/4H (8000ppm) | Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 18, 1974. | |
| rat | LD50 | intraperitoneal | 1130mg/kg (1130mg/kg) | GASTROINTESTINAL: OTHER CHANGES | Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979. |
| rat | LD50 | oral | 1620uL/kg (1.62mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
| rat | LD50 | subcutaneous | 2170mg/kg (2170mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 415, 1943. | |
| rat | LDLo | intravenous | 568mg/kg (568mg/kg) | Toxicology and Applied Pharmacology. Vol. 37, Pg. 115, 1976. |