Methylcyclohexane

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Methylcyclohexane

Product Name: Methylcyclohexane
CAS No.: 108-87-2
Chemical Name: Methylcyclohexane
Synonyms: Sextone B;sextoneb;HEXAHYDROTOLUENE;Residual Solvent Class 2 - Methylcyclohexane;heptanaphthene;Thiolite HAT 1;Methylcyclohex;Cyclohxylmethane;hexahydrodoluene;hexahydro-toluen
CBNumber: CB7852767
Molecular Formula: C7H14
Formula Weight: 98.19
MOL File: 108-87-2.mol

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Methylcyclohexane Property

Melting point:: -126 °C (lit.)
Boiling point:: 101 °C (lit.)
Density: 0.77 g/mL at 25 °C (lit.)
vapor density: 3.4 (vs air)
vapor pressure: 37 mm Hg ( 20 °C)
refractive index: n20/D 1.422(lit.)
Flash point:: 25 °F
storage temp.: Store below +30°C.
solubility: Miscible with acetone, benzene, ether, carbon tetrachloride, ethanol, insoluble in water.
form: Liquid
color: Colorless
Odor Threshold: 0.15ppm
explosive limit: 1.1-6.7%(V)
Water Solubility: 0.1 g/L (20 ºC)
λmax: λ: 207 nm Amax: 1.00
λ: 221 nm Amax: 0.40
λ: 232 nm Amax: 0.15
λ: 260 nm Amax: 0.05
λ: 300-400 nm Amax: 0.01
Merck: 14,6047
BRN: 505972
Henry's Law Constant: 0.0678 at 25.0 °C (Ramachandran et al., 1996)
Exposure limits: NIOSH REL: TWA 400 ppm (1,600 mg/m³), IDLH 1,200 ppm; OSHA PEL: TWA 500 ppm (2,000 mg/m³); ACGIH TLV: TWA 400 ppm (adopted).
Dielectric constant: 2.1（25℃）
Stability:: Stable. Very flammable. Incompatible with strong oxidizing agents.
LogP: 3.88
CAS DataBase Reference: 108-87-2(CAS DataBase Reference)
NIST Chemistry Reference: Cyclohexane, methyl-(108-87-2)
EPA Substance Registry System: Methylcyclohexane (108-87-2)

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Safety

Hazard Codes: F,Xn,N
Risk Statements: 11-38-51/53-65-67
Safety Statements: 9-16-33-61-62
RIDADR: UN 2296 3/PG 2
WGK Germany: 2
RTECS: GV6125000
F: 3-10
Autoignition Temperature: 545 °F
TSCA: Yes
HS Code: 2902 19 00
HazardClass: 3
PackingGroup: II
Hazardous Substances Data: 108-87-2(Hazardous Substances Data)
Toxicity: Acute oral LD₅₀ for mice 2,250 mg/kg (quoted, RTECS, 1985).
IDLA: 1,200 ppm [10% LEL]

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H225Highly Flammable liquid and vapour

H304May be fatal if swallowed and enters airways

H315Causes skin irritation

H336May cause drowsiness or dizziness

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P273Avoid release to the environment.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P331Do NOT induce vomiting.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: M37889
Product name: Methylcyclohexane
Purity: ReagentPlus?, 99%
Packaging: 18L
Price: $1060
Updated: 2024/03/01

Sigma-Aldrich

Product number: 8.06147
Product name: Methylcyclohexane
Purity: for synthesis
Packaging: 100mL
Price: $25.3
Updated: 2024/03/01

Sigma-Aldrich

Product number: 8.06147
Product name: Methylcyclohexane
Purity: for synthesis
Packaging: 1L
Price: $56.2
Updated: 2024/03/01

Sigma-Aldrich

Product number: 8.06147
Product name: Methylcyclohexane
Purity: for synthesis
Packaging: 2.5L
Price: $138
Updated: 2024/03/01

Sigma-Aldrich

Product number: 8.06147
Product name: Methylcyclohexane
Purity: for synthesis
Packaging: 10L
Price: $442
Updated: 2024/03/01

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Methylcyclohexane Chemical Properties,Usage,Production

Description

Methylcyclohexane, an alkene, is a colorless liquid with a faint benzene-like odor. The odor thre-shold is 630 ppm (this is above the OEL). Molecularweight = 98.21; Specific gravity (H2O:1)= 0.77; Boilingpoint = 101℃; Freezing/Melting point= - 127℃; Vaporpressure= 37 mmHg at 20℃; Flash point= - 3.9℃ (cc),- 5.9℃ (oc); Autoignition temperature = 258℃. Explosivelimits: LEL= 1.2%; UEL = 6.7%. Hazard Identification(based on NFPA-704 M Rating System): Health 2,Flammability 3, Reactivity 0. Insoluble in water.

Chemical Properties

Methylcyclohexane, an alkene, is a colorless liquid with a faint benzene-like odor. The odor threshold is 630 ppm (this is above the OEL).

Physical properties

Clear colorless, very flammable liquid with a faint odor similar to benzene or cyclohexane. An odor threshold concentration of 150 ppb_v was reported by Nagata and Takeuchi (1990).

Uses

Methylcyclohexane is an environmentally friendly coating, mainly used as solvent for ink, rubber, paint, varnish, oil and grease extraction solvent, chromatographic analysis standard substance, also can be used in organic synthesis and analytical reagents.

Uses

Methylcyclohexane is used as a solvent and reagent in organic synthesis and polymer chemistry. It is a component of jet fuel and also used as correction fluid in certain consumer products. It acts as a starting material for toluene synthesis

Uses

Solvent; starting material in the synthesis of toluene.

Production Methods

Methylcyclohexane is separated by distillation from crude petroleum oils, and also produced by hydrogenation of toluene, reaction of benzene with methane, or acidic hydrocracking of polycyclic aromatics.

Definition

ChEBI: Methylcyclohexane is a cycloalkane that is cyclohexane substituted by a single methyl group. It has a role as an aprotic solvent, a plant metabolite and a human metabolite. It is a cycloalkane and a volatile organic compound. It derives from a hydride of a cyclohexane.

Synthesis Reference(s)

Journal of the American Chemical Society, 77, p. 5099, 1955 DOI: 10.1021/ja01624a044
The Journal of Organic Chemistry, 41, p. 1393, 1976 DOI: 10.1021/jo00870a022

General Description

A clear colorless liquid with a petroleum-like odor. Flash point 25°F. Less dense than water and insoluble in water. Vapors heavier than air.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Saturated aliphatic hydrocarbons, such as Methylcyclohexane, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents.

Hazard

Flammable, dangerous fire risk. Lowerexplosive limit 1.2% in air. Upper respiratory tractirritant, central nervous system impairment, liverand kidney damage.

Health Hazard

Harmful if inhaled or swallowed. Vapor or mist is irritating to the eyes, mucous membrane and upper respiratory tract and skin. Narcotic effects and dermititis.

Fire Hazard

Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flashback containing explosion may occur during fire conditions. Forms explosive mixtures in air.

Flammability and Explosibility

Highly flammable

Safety Profile

Moderately toxic by ingestion. Mildly toxic by inhalation and skin contact. This material does not cause irritation to the eyes and nose, and, even at the level of 500 ppm, exhbits only a very faint odor. Therefore, it cannot be said to have any warning properties. It is believed to be about three times as toxic as hexane, and has caused death by tetanic spasm in animals. In sublethal concentrations, it causes narcosis and anesthesia. Dangerous fire hazard and moderate explosion hazard when exposed to heat, flame, or oxidzers. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes.

Potential Exposure

Methylcyclohexane is used as a solvent for cellulose derivatives particularly with other solvents; and as an organic intermediate in organic synthesis. A component of jet fuel.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit.

Source

Schauer et al. (1999) reported methylcyclohexane in a diesel-powered medium-duty truck exhaust at an emission rate of 620 μg/km.
Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle-phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission rate of methylcyclohexane was 8.6 mg/kg of pine burned. Emission rates of methylcyclohexane were not measured during the combustion of oak and eucalyptus.
California Phase II reformulated gasoline contained methylcyclohexane at a concentration of 7.87 mg/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 1.86 and 274 mg/km, respectively (Schauer et al., 2002).

Environmental Fate

Biological. May be oxidized by microbes to 4-methylcyclohexanol, which may oxidize to give 4-methylcycloheptanone (Dugan, 1972).
Photolytic. Based on a photooxidation rate constant 1.04 x 10^-11 cm³/molecule?sec for the reaction of cyclohexane and OH radicals in the atmosphere at 298 K, the estimated lifetime of methylcyclohexane is 13 h (Altshuller, 1991).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. Methycyclohexane will not hydrolyze in water because it does not contain a hydrolyzable functional group.
Complete combustion in air yields carbon dioxide and water. Incomplete combustion also yields carbon monoxide.

storage

Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Methylcyclohexane must be stored to avoid contact withstrong oxidizers, (such as chlorine, bromine, chlorine oxide,nitrates and permanganates), since violent reactions occur.Before entering confined space where this chemical may bepresent, check to make sure that an explosive concentrationdoes not exist. Store in tightly closed containers in a cool,well-ventilated area away from heat. Sources of ignition,such as smoking and open flames, are prohibited wheremethylcyclohexane is handled, used, or stored. Metalcontainers involving the transfer of 5 gallons or more ofmethylcyclohexane should be grounded and bonded. Drumsmust be equipped with self-closing valves, pressure vacuumbungs, and flame arresters. Use only nonsparking tools andequipment, especially when opening and closing containersof methylcyclohexane

Shipping

UN2296 Methylcyclohexane, Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

Passage through a column of activated silica gel gives material transparent down to 220nm. It can also be purified by passage through a column of activated basic alumina, or by azeotropic distillation with MeOH, followed by washing out the MeOH with H2O, drying and distilling. Methylcyclohexane can be dried with CaSO4, CaH2 or sodium. It has also been purified by shaking with a mixture of conc H2SO4 and HNO3 in the cold, washing with H2O, drying with CaSO4 and fractionally distilling it from potassium. Percolation through a Celite column impregnated with 2,4-dinitrophenylhydrazine (DNPH), phosphoric acid and H2O (prepared by grinding 0.5g DNPH with 6mL 85% H3PO4, then mixing with 4mL of distilled H2O and 10g of Celite) removes carbonyl-containing impurities. [Cowan et al. J Chem Soc 1865 1939, Beilstein 5 III 65, 5 IV 94.]

Incompatibilities

Vapor may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. Attacks some plastics, rubber and coatings

Waste Disposal

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.

Methylcyclohexane Preparation Products And Raw materials

Raw materials

Dehydrolyzing agent

Preparation Products

2,2-DIMETHYL-N-PYRIDIN-4-YL-PROPIONAMIDE Heptane (2,5-DIMETHYL-1,3-OXAZOL-4-YL)METHANOL ADS trans-1,4-Diaminocyclohexane 2,5-DIMETHYL-1,3-OXAZOLE-4-CARBALDEHYDE Ethacrynic acid 5-BROMO-2-FLUOROPHENYLACETIC ACID

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View Lastest Price from Methylcyclohexane manufacturers

Henan Fengda Chemical Co., Ltd

Product: Methylcyclohexane 108-87-2
Price: US $100.00-1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: g-kg-tons, free sample is available
Release date: 2023-12-26

Hebei Yanxi Chemical Co., Ltd.

Product: Methylcyclohexane 108-87-2
Price: US $0.00/kg
Min. Order: 1kg
Purity: 0.99
Supply Ability: 20 tons
Release date: 2023-11-30

Hebei Fengqiang Trading Co., LTD

Product: Methylcyclohexane 108-87-2
Price: US $100.00/kg
Min. Order: 1kg
Purity: 99
Supply Ability: 5000
Release date: 2023-06-09

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Methylcyclohexane( 99%, HyDry, with molecular sieves, Water≤50 ppm (by K.F.))

Methylcyclohexane, extra pure, 99%

METHYLCYCLOHEXANE

HEXAHYDROTOLUENE

methylcyclohexane absolute over molecul.sieve (H2O <0.005%)

METHYLCYCLOHEXANE FOR UV-SPECTROSCOPY

1-PROPANOL CHROMASOLV FOR HPLC >=99&

METHYL CYCLOHEXANE, 1000MG, NEAT

METHYLCYCLOHEXANE OEKANAL

METHYLCYCLOHEXANE, REAGENTPLUS, 99%

METHYLCYCLOHEXANE, 99%, SPECTROPHOTOMETR IC GRADE

METHYLCYCLOHEXANE, STANDARD FOR GC

PETROLEUM ETHER, ANHYDROUS

METHYL CYCLOHEXANE GC STANDARD

Methylcyclohexane,Certified.

hexahydrodoluene

hexahydro-toluen

Hexahydroxytoluene

Methylcyclohexane, SuperDry, J&KSeal

Methylcyclohexane, SuperDry, with Molecular sieves, J&KSeal

Methylcyclohexane, 99%, SpcDry, Water≤50 ppM (by K.F.), SpcSeal

Methylcyclohex

Methylcyclohexane, 99%, SpcDry, with Molecular sieves, Water≤50 ppM (by K.F.), SpcSeal

Methylcyclohexane in dimethyl sulfoxide