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2-Methylcyclohexanol

2-Methylcyclohexanol structure

CAS No:
583-59-5
Formula:
C7H14O
Chemical Name:
2-Methylcyclohexanol
Synonyms:
Cyclohexanol,2-methyl-;2-Methylcyclohexanol;1-Methyl-2-cyclohexanol;2-Methyl-1-cyclohexanol;2-Methylcyclohexyl alcohol;NSC 75845
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

colourless viscous liquid with an aromatic odour

Straw-colored liquid with a weak odor of coconut oil. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)|COLOURLESS VISCOUS LIQUID WITH CHARACTERISTIC ODOUR.

Straw-colored liquid with a weak odor of coconut oil. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)

2-Methylcyclohexanol Basic Attributes

Molecular Weight：

114.19

Exact Mass：

114.19

BRN：

1847535

EC Number：

209-512-0

ICSC Number：

0294

NSC Number：

100902|245854|244887|75845

UN Number：

2617

HScode：

29061200

Characteristics

PSA：

20.2

XLogP3：

1.8

Appearance：

Clear colorless Liquid

Density：

0.93 g/cm³

Melting Point：

-9.5 °C

Boiling Point：

165-166 °C

Flash Point：

138 °F

Refractive Index：

1.4615-1.4635

Water Solubility：

H2O: slightly soluble

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

Vapor Density：

Relative vapour density (air = 1): 3.9

Toxicity：

Muscle-Mouse LD50: 1000 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Air and Water Reactions：

Insoluble in water.

Reactive Group：

Alcohols and Polyols

Reactivity Profile：

2-METHYLCYCLOHEXANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of these materials with alkali metals, nitrides, and strong reducing agents. Contact with strong oxidizers may cause fires and explosions. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. They exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon monoxide, may be formed when involved in fire (USCG, 1999).

Autoignition Temperature：

565 °F (USCG, 1999)|296 °C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2617 3/PG 3

wgk germany：

hazard class code：

20-36-20/22

safety instructions：

24/25

RTECS Number：

GW0220000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261, P271, P304+P312, P304+P340, P312

Hazard Statements：

H332

Fire Hazards：

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon monoxide, may be formed when involved in fire. (USCG, 1999)|Flammable. Above 58 °C explosive vapour/air mixtures may be formed.

GHS Classification：

|Warning|H226 (14.23%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 274 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226 (14.55%): Flammable liquid and vapor [Warning Flammable liquids]|Aggregated GHS information provided by 275 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302+H332 (11.88%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P304+P312, P304+P340, P305+P351+P338, P312, P330, P337+P313, and P501|Aggregated GHS information provided by 321 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H332: Harmful if inhaled [Warning Acute toxicity, inhalation]|P261, P271, P304+P312, P304+P340, and P312|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Fire Fighting：

Fire Extinguishing Agents Not to Be Used: Water. Fire Extinguishing Agents: Alcohol foam, dry chemical, or carbon dioxide. (USCG, 1999)|Use AFFF, alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

Isolation and Evacuation：

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: 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 129 [Flammable Liquids (Water-Miscible / Noxious)]: 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：

Impervious clothing and gloves should be used to prevent skin contact. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)

Spillage Disposal：

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Safe Storage：

Fireproof.

Inhalation Risk：

A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.

Effects of Short Term Exposure：

The substance is mildly irritating to the eyes and skin. The vapour at high levels is irritating to the eyes and upper respiratory tract.

Effects of Long Term Exposure：

Repeated or prolonged contact with skin may cause dermatitis.

Fire Prevention：

NO open flames, NO sparks and NO smoking. Above 58 °C use a closed system and ventilation.

Inhalation Prevention：

Use ventilation.

Skin Prevention：

Protective gloves.

Eye Prevention：

Wear safety spectacles.

Toxicity

Toxicity class：

moderately toxic

Drug Information

Health Hazards：

May cause headache and irritation of the eyes, nose and throat. Prolonged or repeated contact may cause a skin rash. (USCG, 1999)

First Aid：

Get medical attention. INHALATION: Remove to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen. EYES: Flush with water for at least 15 min., lifting lids occasionally. Contact lenses should not be worn when working with this chemical. SKIN: Remove contaminated clothing and shoes. Wash with soap and water. INGESTION: Give the victim large quantity of water. After swallowing the water, induce vomiting. (USCG, 1999)

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Exposure Routes：

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.

Symptoms：

Cough. Headache.

Redness.

2-Methylcyclohexanol Use and Manufacturing

Uses

Used as paint solvent, lubricating oil additive, textile auxiliary and antioxidant

Manufacturing Info：

Cyclohexanol, 2-methyl-: ACTIVE

Computed Properties

Molecular Weight:114.19
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:70.8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes