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ChemicalBook--->CAS DataBase List--->95-87-4

95-87-4

95-87-4 Structure

95-87-4 Structure
IdentificationMore
[Name]

2,5-Dimethylphenol
[CAS]

95-87-4
[Synonyms]

2,5-DIMETHYLPHENOL
2,5-DMP
2,5-XYLENOL
2-HYDROXY-P-XYLENE
FEMA 3595
P-XYLENOL
XYLENOL(2,5-)
1,2,5-Xylenol
1,4-Dimethyl-2-hydroxybenzene
1-Hydroxy-2,5-dimethylbenzene
2,5-dimethyl-pheno
3,6-Dimethylphenol
3,6-Xylenol
6-Methyl-m-cresol
phenol,2,5-dimethyl-
2,5-diemthyl phenol
2,5-DIMETHYLPHENOL, 1000MG, NEAT
2,5-DIMETHYLPHENOL PESTANAL
2,5-DIMETHYLPHENOL, 99+%
2 5-XYLENOL 99+%
[EINECS(EC#)]

202-461-5
[Molecular Formula]

C8H10O
[MDL Number]

MFCD00002237
[Molecular Weight]

122.16
[MOL File]

95-87-4.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO CREAM COLORED CRYSTALS
[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
[refractive index ]

1.5120
[Fp ]

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
[explosive limit]

1.4%(V)
[Odor Type]

phenolic
[Water Solubility ]

1 g/100 mL (60 ºC)
[Detection Methods]

HPLC
[JECFA Number]

706
[Merck ]

14,10082
[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]

95-87-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T,N
[Risk Statements ]

R24/25:Toxic in contact with skin and if swallowed .
R34:Causes burns.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 2261 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

ZE5775000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29071400
[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.
[Hazardous Substances Data]

95-87-4(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,5-Dimethylaniline-->3,4-Dimethylphenol-->3-Methylanisole-->2,3-dimethylphenol-->Methanol-->m-Cresol-->2,6-Dimethylphenol-->alpha-methoxy-p-xylene-->2,2',5,5'-TETRAMETHYLBIPHENYL-->2,4-DIMETHYLANISOLE-->2-Fluoro-p-Xylene-->2,5-DIMETHYLANISOLE-->2,4-Dimethylphenol-->4-Methylbenzyl alcohol
[Preparation Products]

Gemfibrozil-->2-Ethyl-5-methylanisole
Hazard InformationBack Directory
[General Description]

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

2,5-DIMETHYLPHENOL(95-87-4) is incompatible with bases, acid chlorides, acid anhydrides and oxidizing agents. 2,5-DIMETHYLPHENOL(95-87-4) corrodes steel, brass, copper and copper alloys.
[Air & Water Reactions]

This chemical is hygroscopic. Insoluble in water.
[Fire Hazard]

Flash point data for this chemical are not available. 2,5-DIMETHYLPHENOL is probably combustible.
[Chemical Properties]

2,5-Xylenol has a creosote, sweet, medicinal taste.
[Chemical Properties]

WHITE TO CREAM COLORED CRYSTALS
[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.
[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.
[Purification Methods]

Crystallise 2,5-xylenol from EtOH/ether. [Beilstein 6 IV 3164.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,5-Xylenol(95-87-4).msds
Questions And AnswerBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Dimethylphenol(95-87-4)MS
2,5-Dimethylphenol(95-87-4)1HNMR
2,5-Dimethylphenol(95-87-4)13CNMR
2,5-Dimethylphenol(95-87-4)IR1
2,5-Dimethylphenol(95-87-4)IR2
2,5-Dimethylphenol(95-87-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,5-Dimethylphenol, 99+%(95-87-4)
[Alfa Aesar]

2,5-Dimethylphenol, 97%(95-87-4)
[Sigma Aldrich]

95-87-4(sigmaaldrich)
[TCI AMERICA]

2,5-Dimethylphenol,>98.0%(GC)(95-87-4)
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