|
|
|
Substance Name: Cyclohexanone
RN: 108-94-1
UNII: 5QOR3YM052
InChIKey: JHIVVAPYMSGYDF-UHFFFAOYSA-N
Molecular Formula
- C6-H10-O
Molecular Weight
- 98.144
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Agricultural Chemical
- Fungicide, Bactericide, Wood Preservative
- Human Data
- Mutation Data
- Reproductive Effect
- Skin / Eye Irritant
- Tumor Data
Superlist Classification Codes
- Overall Carcinogenic Evaluation: Group 3
- Reportable Quantity (RQ) = 5000 lb
- TWA 20 ppm; STEL 50 ppm; skin; Confirmed animal carcinogen with unknown relevance to humans
- TWA 50 ppm (200 mg/m3)
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Cyclohexanone
Synonyms
- AI3-00041
- Anon
- Anone
- Caswell No. 270
- CCRIS 5897
- Cicloesanone
- Cicloesanone [Italian]
- Cyclohexanon
- Cyclohexanon [Dutch]
- Cyclohexanone
- Cyclohexyl ketone
- Cykloheksanon
- Cykloheksanon [Polish]
- EC 203-631-1
- EINECS 203-631-1
- EPA Pesticide Chemical Code 025902
- Hexanon
- HSDB 186
- Hytrol O
- Ketohexamethylene
- Nadone
- NCI-C55005
- NSC 5711
- Pimelic ketone
- Pimelin ketone
- RCRA waste number U057
- Sextone
- UNII-5QOR3YM052
Systematic Name
- Cyclohexanone
Superlist Names
- Cyclohexanone
- Cyclohexanone [UN1915] [Flammable liquid]
- RCRA waste no. U057
- UN1915
Registry Numbers
CAS Registry Number
- 108-94-1
FDA UNII
- 5QOR3YM052
System Generated Number
- 0000108941
Structure Descriptors
InChI
1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2InChIKey
JHIVVAPYMSGYDF-UHFFFAOYSA-NSmiles
C1(CCCCC1)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| frog | LDLo | subcutaneous | 1900mg/kg (1900mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC 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: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | 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. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -3.10E+01 | deg C | EXP | |
| Boiling Point | 155.4 | deg C | EXP | |
| pKa Dissociation Constant | 11.3 | (none) | EXP | |
| log P (octanol-water) | 0.81 | (none) | EXP | |
| Water Solubility | 2.50E+04 | mg/L | 25 | EXP |
| Vapor Pressure | 4.33 | mm Hg | 25 | EXP |
| Henry's Law Constant | 9.00E-06 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 6.39E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.