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Isopropylcyclohexane

Isopropylcyclohexane structure

CAS No:
696-29-7
Formula:
C9H18
Chemical Name:
Isopropylcyclohexane
Synonyms:
Cyclohexane,(1-methylethyl)-;Cyclohexane,isopropyl-;(1-Methylethyl)cyclohexane;Isopropylcyclohexane;NSC 73963;(Propan-2-yl)cyclohexane
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Clear colorless liquid

Isopropyl cyclohexane is a colorless liquid. (USCG, 1999)|Liquid

Isopropyl cyclohexane is a colorless liquid. (USCG, 1999)

Isopropylcyclohexane Basic Attributes

Molecular Weight：

126.24

Exact Mass：

126.24

EC Number：

211-792-4

NSC Number：

73963

UN Number：

3295

DSSTox ID：

DTXSID2061012

HScode：

2902199090

Characteristics

PSA：

XLogP3：

3.22270

Appearance：

Isopropyl cyclohexane is a colorless liquid. (USCG, 1999)

Density：

0.7974 g/cm³ @ Temp: 20 °C

Melting Point：

-89.4 °C

Boiling Point：

154.8 °C

Flash Point：

96 °F

Refractive Index：

n20/D 1.441(lit.)

Storage Conditions：

Flammables area

Vapor Pressure：

9.9 mm Hg ( 37.7 °C)

Air and Water Reactions：

Flammable. Water insoluble.

Reactive Group：

Hydrocarbons, Aliphatic Saturated

Reactivity Alerts：

Highly Flammable

Reactivity Profile：

ISOPROPYL CYCLOHEXANE may be incompatible with strong oxidizing agents like nitric acid. Charring may occur followed by ignition of unreacted material and other nearby combustibles. In other settings, mostly unreactive. Not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, burns exothermically to produce mostly carbon dioxide and water.

Autoignition Temperature：

541 °F (USCG, 1999)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3295 3/PG 3

wgk germany：

hazard class code：

10-65

safety instructions：

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Hazard Statements：

H226

Fire Hazards：

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016)

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 51 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Fighting：

Fire Extinguishing Agents Not to Be Used: Water may not be effective on fire Fire Extinguishing Agents: Foam, carbon dioxide, dry chemical (USCG, 1999)

Isolation and Evacuation：

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Nonfire Spill Response：

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Personal Protective Equipment：

Hydrocarbon vapor canister, supplied-air, or hose mask, hydrocarbon-insoluble rubber or plastic gloves, chemical goggles or face splash shield, hydrocarbon- insoluble rubber or plastic apron. (USCG, 1999)

Drug Information

Health Hazards：

Dizziness, with nausea and vomiting. Concentrated vapor may cause collapse and unconsciousness. (USCG, 1999)

First Aid：

INHALATION: Remove victim to fresh air; if breathing stops, give artificial respiration and administer oxygen. SKIN OR EYE CONTACT: Remove contaminated clothing and gently flush affected areas with water for 15 minutes; call a physician. (USCG, 1999)

MeSH Entry Terms：

(1-methylethyl)cyclohexane

Isopropylcyclohexane Use and Manufacturing

Uses

For organic synthesis

Manufacturing Info：

Cyclohexane, (1-methylethyl)-: ACTIVE

Use Classification：

Fatty Acyls [FA] -> Hydrocarbons [FA11]

Computed Properties

Molecular Weight:126.24
XLogP3:4.3
Rotatable Bond Count:1
Exact Mass:126.140850574
Monoisotopic Mass:126.140850574
Heavy Atom Count:9
Complexity:68.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes