Phenol

Phenol
Compound Structure:
Synonyms: phenol ;108-95-2; carbolic acid ;Hydroxybenzene ;Phenic acid
Compound ID: NMPC-1396
PubChem ID:

996

Molecular Formula: C6H5OH
Canonical SMILES: C1=CC=C(C=C1)O
InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
About the compound:

Phenol, also known as benzenol, carbolic acid, or phenolic acid, is an aromatic organic compound with the molecular formula C6H5OH. It exists both as a manufactured chemical and as a naturally occurring substance. Pure phenol is a colorless-to-white solid, while the commercial product is typically a liquid. Phenol is characterized by its distinct, sickeningly sweet, and tarry odor, and it can be tasted and smelled at levels lower than those associated with harmful effects. It evaporates more slowly than water and can form a solution with water. Phenol is combustible, with a flash point of 175 °F, and must be heated before it can ignite easily. Phenol is primarily used in the production of phenolic resins and the manufacture of nylon and other synthetic fibers. It also finds application in slimicides, disinfectants, antiseptics, and medicinal preparations like mouthwash and sore throat lozenges. In aqueous solutions, phenol appears as a white crystalline mass, which may be colorless to slightly pink with a sharp, burning taste and distinctive odor. These solutions are acidic and toxic if ingested, inhaled, or absorbed through the skin, acting as a strong irritant to tissues. Phenol in its liquid form appears colorless when pure, but it can be pink or red. Its vapors are heavier than air and corrosive to the skin, causing numbness rather than burning upon contact, and skin may turn white. Exposure to phenol can be lethal through skin absorption. It does not react with water and is stable during normal transportation but reactive with various chemicals. It may be corrosive to materials like lead, aluminum, certain plastics, and rubber. Phenol has a freezing point of about 105 °F and a density of 8.9 lb/gal. Initially extracted from coal tar, phenol is now predominantly produced from petroleum-derived feedstocks, with an annual production scale of about 7 million tonnes. It is an important industrial commodity, serving as a precursor to numerous materials and compounds. Phenol and its derivatives are crucial in the production of polycarbonates, epoxies, explosives, Bakelite, nylon, detergents, herbicides (such as phenoxy herbicides), and a variety of pharmaceutical drugs. Due to its mildly acidic nature and potential to cause chemical burns, careful handling of phenol is necessary.

GHS Hazard Statements

H301: Toxic if swallowed [Danger Acute toxicity, oral]

H311: Toxic in contact with skin [Danger Acute toxicity, dermal]

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

H331: Toxic if inhaled [Danger Acute toxicity, inhalation]

H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]

H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

94.11 g/mol

XLogP3

1.5

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

94.041864811 g/mol

Monoisotopic Mass

94.041864811 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

7

Formal Charge

0

Complexity

46.1

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Phenol solution, [aqueous] is a white crystalline mass dissolved in an aqueous solution. Solution may be colorless to slightly pink in color with a distinctive phenol odor; sharp burning taste. Aqueous solution will be acidic and act as such. Toxic by ingestion, inhalation and skin absorption; strong irritant to tissues

Boiling Point

181.8°C

Melting Point

40.9°C

 

Density

1.06 g/cm³

Solubility 

Very soluble in alcohol, chloroform, ether, glycerol, carbon disulfide, petrolatum, volatile and fixed oils, and aqueous alkali hydroxides

Vapor Pressure

0.35 [mmHg]

 

Source: PubChem                        

Source Species: Heliotropium indicum
Petiveria alliacea
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