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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)
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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
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2InChIKey
JHIVVAPYMSGYDF-UHFFFAOYSA-NSmiles
O=C1CCCCC1Toxicity
| 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) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION | 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) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | 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.