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Methylcyclopentane

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Methylcyclopentane

EINECS 202-503-2
CAS No. 96-37-7 Density 0.774 g/cm3
PSA 0.00000 LogP 2.19650
Solubility Insoluble in water, soluble in alcohol, ether, benzene, acetone Melting Point -142.4 °C
Formula C6H12 Boiling Point 73.483 °C at 760 mmHg
Molecular Weight 84.1613 Flash Point -23.889 °C
Transport Information UN 2298 3/PG 2 Appearance clear colorless liquid
Safety 16-26-33-36-62 Risk Codes 11-22-36/37/38-65
Molecular Structure Molecular Structure of 96-37-7 (Methylcyclopentane) Hazard Symbols HarmfulXn,FlammableF
Synonyms

Cyclopentane, methyl-;NSC 24836;Methylpentamethylene;

Article Data 352

Methylcyclopentane Consensus Reports

Reported in EPA TSCA Inventory.

Methylcyclopentane Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Methylcyclopentane Specification

Methylcyclopentane is an organic compound with the formula C6H12, and its systematic name is the same with the product name. It is one of the important benzene precursors that can react in refinery processes to form benzene. With the CAS registry number 96-37-7, it is also named as Methylpentamethylene. It belongs to the product categories of Alkanes; Cyclic; Organic Building Blocks; Alpha Sort; Hydrocarbons; M; MAlphabetic; Neats; Volatiles/ Semivolatiles. Its EINECS number is 202-503-2. In addition, the molecular weight is 84.16. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from heat and fire. The temperature of storehouse should not exceed 30 °C. It should be divided with oxidants, avoiding mixing storage. You should use explosion-proof lighting and ventilation facilities. This chemical is used as a solvent and chromatographic analysis standard material, and it is also used in organic synthesis.

Physical properties of Methylcyclopentane are: (1)ACD/LogP: 3.171; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 151.37; (6)ACD/BCF (pH 7.4): 151.37; (7)ACD/KOC (pH 5.5): 1264.98; (8)ACD/KOC (pH 7.4): 1264.98; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.424; (13)Molar Refractivity: 27.767 cm3; (14)Molar Volume: 108.708 cm3; (15)Polarizability: 11.008×10-24cm3; (16)Surface Tension: 23.58 dyne/cm; (17)Density: 0.774 g/cm3; (18)Flash Point: -23.889 °C; (19)Enthalpy of Vaporization: 29.08 kJ/mol; (20)Boiling Point: 73.483 °C at 760 mmHg; (21)Vapour Pressure: 124.52 mmHg at 25°C.

Preparation of Methylcyclopentane: this chemical can be prepared by cyclohexanone at the ambient temperature. This reaction will need reagents HCl(g), triethylsilane, AlCl3 and solvent CH2Cl2 with the reaction time of 4 hours. The yield is about 60%.

Methylcyclopentane can be prepared by cyclohexanone at the ambient temperature

Uses of Methylcyclopentane: it can be used to produce bromocyclohexane at the temperature of -20 °C. It will need reagents Br2, CBr4·2AlBr3. The yield is about 76%.

Methylcyclopentane can be used to produce bromocyclohexane at the temperature of -20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. This substance is harmful if swallowed and it may cause lung damage if swallowed. If swallowed, it will not induce vomiting, but you should seek medical advice immediately and show this container or label. You need to take precautionary measures against static discharges. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1CCCC1
(2)Std. InChI: InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
(3)Std. InChIKey: GDOPTJXRTPNYNR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 95gm/m3 (95000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 149, Pg. 116, 1930.

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