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108-87-2

Basic Information
CAS No.: 108-87-2
Name: Methylcyclohexane
Article Data: 4
Molecular Structure:
Molecular Structure of 108-87-2 (Methylcyclohexane)
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: 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
Synthetic route
82166-21-0

methyl cyclohexane

108-87-2

Methylcyclohehane cation radical

Conditions
ConditionsYield
With Nitrogen dioxide at -140.1℃; Thermodynamic data; Rate constant; Irradiation; activation energy;
In various solvent(s) at -269℃; irradiation with γ-rays;
Raw Materials
363-72-4
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    Methylcyclohexane

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.9-1.2

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  • Hebei Ruishun Trade Co.,Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-311-68037669

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  • Methylcyclohexane Manufacturer/High quality/Best price/In stock

  • Casno:

    108-87-2

    Methylcyclohexane Manufacturer/High quality/Best price/In stock

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-1.0

    HuBei ipure is a diversified product production and operation enterprise, with API, pharma intermediates, and other fine chemicals as well as R&D and pigments development and sales as one of the large enterprises, with more than 130 acres of pl

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     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:18062427325

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  • Methylcyclohexane

  • Casno:

    108-87-2

    Methylcyclohexane

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    At Share Chemical Company, we scrupulously abide by our policy of “Excellent Quality at a Reasonable Price”. We strive to satisfy all of our customers by providing the finest quality products supported by the finest in customer servi

    Share Chemical Co., Ltd. is an innovative chemical producer engaged in the production of organic specialty chemicals, pharmaceuticals, and fine chemicals of high purity for product

  • Hangzhou Share Chemical Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:+86-57187093700

    Address:Hang Xing Road

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  • Cyclohexane, methyl-

  • Casno:

    108-87-2

    Cyclohexane, methyl-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Address:1006, Top Enterprises, No. 19 of Minhang Road, Zhengzhou City, Henan,China.

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  • Cyclohexane, methyl-

  • Casno:

    108-87-2

    Cyclohexane, methyl-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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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