2-Isopropylphenol
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2-Isopropylphenol
structure -
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CAS No:
88-69-7
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Formula:
C9H12O
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Chemical Name:
2-Isopropylphenol
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Synonyms:
Phenol,2-(1-methylethyl)-;Phenol,o-isopropyl-;2-(1-Methylethyl)phenol;o-Isopropylphenol;2-Isopropylphenol;o-Hydroxycumene;o-Cumenol;NSC 5103;2-(Propan-2-yl)phenol
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CAS No:
Description
2-Isopropylphenol has a medicinal, creosote odor CLEAR SLIGHTLY YELLOW LIQUID
O-isopropyl phenol is a light-yellow liquid. Less dense than water and insoluble in water. Hence floats on water.|Liquid|Colourless liquid, phenolic odour
O-isopropyl phenol is a light-yellow liquid. Less dense than water and insoluble in water. Hence floats on water.|2-isopropylphenol is a member of the class of phenols carrying an isopropyl group at position 2. It derives from a hydride of a cumene.
2-Isopropylphenol Basic Attributes
136.19
136.19
1363322
201-852-8
B2899Z0Q2U
5103
3145
DTXSID2044391
29071900
Characteristics
20.23000
2.82
Clear slightly yellow Liquid
0.9929 g/cm3 @ Temp: 25 °C
15.5 °C
213.5 °C
192 °F
1.526
insoluble
Store below +30°C.
<0.05 mm Hg ( 25 °C)
Intravenous-Mouse LD50: 100 mg/kg
Combustible; gas stimulated by heat decomposition
Insoluble in water.
Phenols and Cresols
Phenols, such as O-ISOPROPYL PHENOL, do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Nitrated phenols often explode when heated. Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire (USCG, 1999).
Safety Information
II
8
UN 3145 8/PG 2
3
34-22
26-36/37/39-45-28
SL5900000
C,Xn
The warehouse is ventilated, low-temperature and dry; stored separately from oxidants.
Corrosive to skin and cornea
Stable under normal temperatures and pressures.
P280-P305 + P351 + P338-P310
H302-H314
Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)
|Danger|H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 1616 companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fire Extinguishing Agents Not to Be Used: Water. Fire Extinguishing Agents: Dry chemical, alcohol foam, or carbon dioxide. (USCG, 1999)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. 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)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2016)
Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)
Drug Information
Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)
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. (USCG, 1999)
2-isopropylphenol
2-Isopropylphenol Use and Manufacturing
O-Isopropylphenol is obtained by alkylation of phenol and propylene. Add molten phenol to the reaction pot, stir and heat up to about 100℃, according to the molar ratio of phenol and aluminum is 1:0.0065~0.01, put aluminum scraps into phenol, continue to heat up to 165~170℃, react for 0.5h, namely A phenol solution of aluminum phenol is obtained. Put the phenol solution containing 3% aluminum phenol into the autoclave, and raise the temperature to 200 ℃ with stirring, pass through the dried liquid propylene for alkylation reaction, control the pressure in the autoclave 1.3 ~ 1.4 MPa, temperature 235 ~ 250 ℃, After the propylene was passed through, stirring was continued for 20 min to obtain the reaction solution. The one-pass conversion rate of phenol is controlled at about 50%. At this time, the selectivity of o-isopropylphenol can reach 80%. If the one-way conversion rate of phenol is increased, the by-products 2, 6-diisopropylphenol and polyalkyl Phenol increases, the yield decreases, and brings trouble to the post-treatment.
2-Isopropylphenol is an impurity of Propofol (P829750).
Intermediates
All other basic inorganic chemical manufacturing|Phenol, 2-(1-methylethyl)-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:136.19
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:136.088815002
Monoisotopic Mass:136.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:98.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
When used in combination with other ingredients, it can strengthen the gastric and duodenal mucosal barrier and regenerate the mucosa.
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