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| CAS No.: | 108-87-2 |
|---|---|
| Name: | Methylcyclohexane |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H14 |
| Molecular Weight: | 98.1882 |
| Synonyms: | 1-Methylcyclohexane;Cyclohexylmethane;Hexahydrotoluene;MCHX;NSC 9391;Toluenehexahydride; |
| EINECS: | 203-624-3 |
| Density: | 0.777 g/cm3 |
| Melting Point: | -126.3 °C |
| Boiling Point: | 101.135 °C at 760 mmHg |
| Flash Point: | -3oC |
| Solubility: | 0.1 g/L (20 ºC) |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 F, Xn, N
|
| Risk Codes: | 11-38-51/53-65-67 |
| Safety: | 9-16-33-61-62 |
| Transport Information: | UN 2296 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.58660 |
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methyl cyclohexane
- 108-87-2
Methylcyclohehane cation radical
| Conditions | Yield |
|---|---|
| With Nitrogen dioxide at -140.1℃; Thermodynamic data; Rate constant; Irradiation; activation energy; | |
| In various solvent(s) at -269℃; irradiation with γ-rays; |
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- Total:23 Page 1 of 1 1
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Consensus Reports
Standards and Recommendations
ACGIH TLV: TWA 400 ppm
DFG MAK: 500 ppm (2000 mg/m3)
DOT Classification: 3; Label: Flammable Liquid
Analytical Methods
Specification
The Methylcyclohexane, with the CAS registry number 108-87-2 and EINECS registry number 203-624-3, is also called methyl-cyclohexane. It is a colourless liquid with a faint benzene-like odour, and it belongs to the following product categories: Cyclic Compounds; Analytical Chemistry; Solvents for HPLC & Spectrophotometry; Solvents for Spectrophotometry; HPLC Solvents. And the molecular formula of the chemical is C7H14. What's more, it is always used in organic synthesis and as a solvent for cellulose ethers. And it is a component of jet fuel and is also a component of correction fluids.
The physical properties of Methylcyclohexane are as followings: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.698; (4)ACD/LogD (pH 7.4): 3.698; (5)ACD/BCF (pH 5.5): 380.743; (6)ACD/BCF (pH 7.4): 380.743; (7)ACD/KOC (pH 5.5): 2448.053; (8)ACD/KOC (pH 7.4): 2448.053; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 32.378 cm3; (15)Molar Volume: 126.446 cm3; (16)Polarizability: 12.836×10-24cm3; (17)Surface Tension: 23.901 dyne/cm; (18)Density: 0.777 g/cm3; (19)Enthalpy of Vaporization: 31.27 kJ/mol; (20)Boiling Point: 101.135 °C at 760 mmHg; (21)Vapour Pressure: 41.067 mmHg at 25°C.
Preparation and uses of Methylcyclohexane: It can be propared by toluene and hydrogen with temperaure of 150°C and 11MPa. And it is alway used as solvents and analytical reagents.
You should be cautious while dealing with this chemical. It is a kind of highly flammble chemical which irritates to skin. It is toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. It may also cause lung damage if swallowed, its vapors may cause drowsiness and dizziness. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Take precautionary measures against static discharges; Avoid release to the environment. Refer to special instructions safety data sheet; If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label; Keep container in a well-ventilated place.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1CCCCC1
(2)InChI: InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
(3)InChIKey: UAEPNZWRGJTJPN-UHFFFAOYAG
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 41500mg/m3/2H (41500mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 82, 1982. | |
| mouse | LD50 | oral | 2250mg/kg (2250mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 82, 1982. | |
| rabbit | LC50 | inhalation | 15227ppm/1H (15227ppm) | BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 323, 1943. |
| rabbit | LD | skin | > 86700mg/kg (86700mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 199, 1943. | |
| rabbit | LDLo | oral | 4gm/kg (4000mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 199, 1943. |
| rat | LCLo | inhalation | 82gm/m3/1H (82000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0556685, |
| rat | LD50 | oral | > 3200mg/kg (3200mg/kg) | National Technical Information Service. Vol. OTS0556685 |