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108-87-2

Basic Information
CAS No.: 108-87-2
Name: Cyclohexane, methyl-
Molecular Structure:
Molecular Structure of 108-87-2 (Cyclohexane, methyl-)
Formula: C7H14
Molecular Weight: 98.21
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: FlammableF,HarmfulXn,DangerousN
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
Raw Materials
363-72-4
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 400 ppm
ACGIH TLV: TWA 400 ppm
DFG MAK: 500 ppm (2000 mg/m3)
DOT Classification:  3; Label: Flammable Liquid

Analytical Methods

For occupational chemical analysis use NIOSH: Hydrocarbons, Bp 36–126°C, 1500.

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