2,5-Dimethylphenol Chemical Properties

Melting point:

75-77 °C

Boiling point:

212 °C(lit.)

Density 

0.971 g/mL at 25 °C(lit.)

vapor pressure 

0.208 hPa (25 °C)

FEMA 

3595 | 2,5-XYLENOL

refractive index 

1.5120

Flash point:

85 °C

storage temp. 

Store below +30°C.

solubility 

3.54g/l slightly soluble

form 

Crystals

pka

pK1:10.22 (25°C)

color 

slightly brown

Odor

at 0.10 % in propylene glycol. sweet naphthyl phenolic smoke bacon

Odor Type

phenolic

explosive limit

1.4%(V)

Water Solubility 

1 g/100 mL (60 ºC)

Merck 

14,10082

JECFA Number

706

BRN 

1099260

Exposure limits

ACGIH: TWA 1 ppm

InChIKey

NKTOLZVEWDHZMU-UHFFFAOYSA-N

LogP

2.34-2.6 at 25℃

CAS DataBase Reference

95-87-4(CAS DataBase Reference)

NIST Chemistry Reference

Phenol, 2,5-dimethyl-(95-87-4)

EPA Substance Registry System

2,5-Dimethylphenol (95-87-4)

Safety Information

Hazard Codes 

T,N

Risk Statements 

24/25-34-51/53

Safety Statements 

26-36/37/39-45-61

RIDADR 

UN 2261 6.1/PG 2

WGK Germany 

3

RTECS 

ZE5775000

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

II

HS Code 

29071400

Hazardous Substances Data

95-87-4(Hazardous Substances Data)

MSDS

• Language:English Provider:2,5-Xylenol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2,5-Dimethylphenol Usage And Synthesis

Description

2, 5-dimethylphenol (also known as 2, 5-xylenol, or p-xylenol, chemical formula: (CH3)2C6H3OH.) is a chemical compound as one of the six isomers of xylenol. It is found in alcoholic beverages, coffee and whisky. It is a kind of flavoring agent belonging to the family of Ortho Cresols. One of its applications is for the synthesis of Mexilethine. It has important industrial importance, e.g. for the manufacture of antioxidants. It is also a monomer for the poly (p-phenylene oxide) engineering resins through carbon-oxygen oxidative coupling. It is traditionally extracted from the coal tar.

References

https://en.wikipedia.org/wiki/2,6-Xylenol
https://en.wikipedia.org/wiki/Xylenol
https://pubchem.ncbi.nlm.nih.gov/compound/2_5-dimethylphenol#section=Top

Chemical Properties

WHITE TO CREAM COLORED CRYSTALS

Chemical Properties

2,5-Xylenol has a creosote, sweet, medicinal taste.

Occurrence

Reported found in coffee, smoked fatty fish, processed lean fish, malt whiskey, Scotch blended whiskey, katsuobushi (dried bonito) and kumazasa (Sasa albo-marginata).

Uses

Used to make phenolic resins and (in isomeric mixtures) as an antioxidant for lubricating oils, gasoline, and elastomers. Also used as perfuming agents.

Definition

ChEBI: 2,5-xylenol is a member of the class of phenols that phenol substituted by methyl groups at positions 2 and 5. It has a role as a volatile oil component and an animal metabolite. It derives from a hydride of a p-xylene.

Aroma threshold values

Detection: 400 ppb

Taste threshold values

Taste characteristics at 10 ppm: musty, chemical, stringent and phenolic.

General Description

Colorless to off-white crystalline solid. Odor threshold concentration 0.4 mg/L. Taste threshold concentration 0.5 mg/L.

Air & Water Reactions

2,5-Dimethylphenol is hygroscopic. Insoluble in water.

Reactivity Profile

2,5-Dimethylphenol is incompatible with bases, acid chlorides, acid anhydrides and oxidizing agents. 2,5-Dimethylphenol corrodes steel, brass, copper and copper alloys.

Health Hazard

Symptoms of exposure to this compound may include severe irritation and burns of the skin and eyes; irritation of the respiratory tract, dizziness, stomach pain, exhaustion, coma and damage to the liver or kidneys. Other symptoms include headache, nausea and vomiting. It may cause corrosion of the tissues of the mucous membranes and upper respiratory tract, eyes and skin. Inhalation may result in burning sensation, coughing, wheezing, laryngitis and shortness of breath. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi; chemical pneumonitis and pulmonary edema. Symptoms of exposure to this class of compounds include skin sensitization, profuse sweating, painless blanching or erythema of the skin, intense thirst, diarrhea, cyanosis from methemoglobinemia, hyperactivity, stupor, blood pressure fall, hyperpnea, abdominal pain, hemolysis and convulsions. If death from respiratory failure is not immediate, jaundice and oliguria or anuria may occur.

Fire Hazard

Flash point data for 2,5-Dimethylphenol are not available. 2,5-Dimethylphenol is probably combustible.

Safety Profile

Poison by ingestion. Moderately toxic by an unspecified route. When heated to decomposition it emits acrid smoke and irritating fumes. Questionable carcinogen with experimental tumorigenic data. Used in disinfectants, solvents, pharmaceuticals, plasticizers, and wetting agents. See also other xylenol entries.

Purification Methods

Crystallise 2,5-xylenol from EtOH/ether. [Beilstein 6 IV 3164.]

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