ChemicalBook--->CAS DataBase List--->108-68-9

108-68-9

108-68-9 Structure

108-68-9 Structure
IdentificationMore
[Name]

3,5-Dimethylphenol
[CAS]

108-68-9
[Synonyms]

1-HYDROXY-3,5-DIMETHYLBENZENE
3,5-DIMETHYLPHENOL
3,5-XYLENOL
5-HYDROXY-1,3-DIMETHYLBENZENE
5-HYDROXY-M-XYLENE
DIMETHYLPHENOL(3,5-)
M-XYLENOL
SYM-M-XYLENOL
SYM-XYLENOL
XYLENOL (3,5-)
1,3,5-Xylenol
1,3-dimethyl-5-hydroxy-benzen
1,3-Dimethyl-5-hydroxybenzene
1,5-Dimethyl-3-hyperoxybenzene
3,5-dimethyl-pheno
3,5-Dmp
3,5-Xylen-1-ol
ai3-01553
benzene,1-hydroxy-3,5-dimethyl-
m-5-Xylenol
[EINECS(EC#)]

203-606-5
[Molecular Formula]

C8H10O
[MDL Number]

MFCD00002307
[Molecular Weight]

122.16
[MOL File]

108-68-9.mol
Chemical PropertiesBack Directory
[Appearance]

3,5-Xylenol is a crystalline solid.
[Melting point ]

61-64 °C(lit.)
[Boiling point ]

222 °C(lit.)
[density ]

1.115
[vapor pressure ]

5-5.4Pa at 25℃
[refractive index ]

1.5146 (estimate)
[Fp ]

109 °C
[storage temp. ]

room temp
[form ]

Crystalline Solid
[pka]

pK1:10.15 (25°C)
[color ]

White to orange
[Odor]

Strong, “cresylic” odor.
[Water Solubility ]

5.3 g/L (25 ºC)
[Sensitive ]

Air & Light Sensitive
[Merck ]

14,10082
[BRN ]

774117
[Exposure limits]

ACGIH: TWA 1 ppm
[InChIKey]

TUAMRELNJMMDMT-UHFFFAOYSA-N
[LogP]

2.35 at 25.5℃
[CAS DataBase Reference]

108-68-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 3,5-dimethyl-(108-68-9)
[EPA Substance Registry System]

108-68-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R24/25:Toxic in contact with skin and if swallowed .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
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) .
[RIDADR ]

UN 2261 6.1/PG 2
[WGK Germany ]

2
[RTECS ]

ZE6475000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29071400
[Safety Profile]

Poison by intraperitoneal route. Moderately toxic by ingestion. A severe eye irritant. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also other xylenol entries.
[Hazardous Substances Data]

108-68-9(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

m-Xylene-->2,6-Dimethylphenol
[Preparation Products]

3,4-Dimethylphenol-->4-(Methylthio)-3,5-xylenol-->XMC-->N,N-Dimethylglycine-->4-Pyridinamine,5-ethyl-2-methyl-, 1-oxide-->4-Bromo-3,5-dimethylphenol-->2,6-Dimethyl-4-aminophenol-->CHLOROXYLENOL RELATED COMPOUND A (25 MG) (2- CHLORO-3,5-DIMETHYLPHENOL)-->4-Hydroxy-2,6-dimethylbenzoic acid-->2-Pyridylacetic acid-->2,6-DIMETHYLBENZOQUINONE-->3-Methyl-2-cyclohexen-1-one-->4-Chloro-3,5-dimethylphenol-->3-(3,5-DIMETHYLPHENOXY)-2-BUTANONE
Hazard InformationBack Directory
[General Description]

Colorless to off-white crystalline solid. Odor threshold 1 ppm. Taste threshold 0.001 mg/L.
[Reactivity Profile]

3,5-DIMETHYLPHENOL(108-68-9) is incompatible with bases, acid chlorides, acid anhydrides, and oxidizing agents. 3,5-DIMETHYLPHENOL(108-68-9) corrodes steel, brass, copper, and copper alloys.
[Air & Water Reactions]

This chemical is hygroscopic. Insoluble in water.
[Potential Exposure]

3,5-Xylenol is used as an antioxidant, solvent, plasticizer, wetting agent; and in pharmaceuticals. Xylenols are also used in pesticides, fuel, and lubricant additives; as a rubber chemical; in dyestuff manufacture. There are actually six xylenol isomers.
[Fire Hazard]

Flash point data for this chemical are not available. 3,5-DIMETHYLPHENOL is probably combustible.
[First aid]

Get medical attention at once following exposure to this com pound. Inhalation: Remove patient immediately to fresh air; irritation of nose or throat may be somewhat relieved by spraying or gargling with water until all odor is gone; 100% oxygen inhalation is indicated for cyanosis or respiratory distress; keep patient warm, but not hot. Eyes: Flood with running water for 15 minutes; if physician is not immediately available, continue irrigation for another 15 minutes; 2-3 drops of 0.5% pontocaine or equivalent may be instilled after first 15 minutes; do not use oils or oily ointments unless ordered by physician.
Skin: Wash affected areas with large quantities of water or soapy water until all odor is gone; then wash with alcohol or 20% glycerin solution and more water; keep patient warm, but not hot; cover chemical burns continuously with compresses wet with saturated solution of sodium thiosulfate; apply no salves or ointments for 24 hours after injury. Ingestion: Give large quantities of liquid (salt water, weak sodium bicarbonate solution, milk, or gruel) followed by demulcent, such as raw egg white or corn starch paste; if profuse vomiting does not follow immediately, give a mild emetic (such as 1 tbsp mustard in glass of water), or tickle back of throat. Repeat procedure until vomitus is free of the odor. Some demulcent should be left in stomach after vomiting. Keep patient comfortably warm.
[Shipping]

UN 2261 Xylenols, Hazard Class: 6.1; Labels: 6.1-Poisonous materials.
[Incompatibilities]

A weak organic acid. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, and epoxides.
[Chemical Properties]

3,5-Xylenol is a crystalline solid.
[Chemical Properties]

WHITE TO LIGHT BEIGE CRYSTALLINE SOLID
[Waste Disposal]

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
[Uses]

3,5-Dimethylphenol finds application as adhesives, sealant chemicals, plating and surface treating agents. It is also used as a solvent for cleaning or degreasing. Further, it is employed as a chemical intermediate for antioxidants, phenolic resins, active pharmaceutical ingredients and metaxalone (muscle relaxant).
[Definition]

ChEBI: A member of the class of phenols that phenol substituted by methyl groups at positions 3 and 5.
[storage]

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Prior to working with thischemical you should be trained on its proper handling andstorage. Store in tightly closed containers in a cool, wellventilated area away from chemical oxidizers. Sources ofignition, such as smoking and open flames, are prohibitedwhere xylenols is used, handled, or stored in a manner thatcould create a potential fire or explosion hazard.
[Purification Methods]

Purify it as for 3,4-dimethylphenol. [Beilstein 6 IV 3141.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,5-Xylenol(108-68-9).msds
Questions And AnswerBack Directory
[Description]

3,5-Dimethylphenol was used in simultaneous determination of urinary concentrations of phenol, o-, p-, m-cresols, 1-, 2-naphthol and xylenol isomers by capillary gas chromatography. It was used as starting reagent for total synthesis of landomycin A, most potent antitumor angucycline antibiotic and optically active polypropionate units. It also finds application as adhesives, sealant chemicals, plating and surface treating agents. It is also used as a solvent for cleaning or degreasing. Further, it is employed as a chemical intermediate for antioxidants, phenolic resins, active pharmaceutical ingredients and metaxalone (muscle relaxant).
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dimethylphenol(108-68-9)MS
3,5-Dimethylphenol(108-68-9)1HNMR
3,5-Dimethylphenol(108-68-9)13CNMR
3,5-Dimethylphenol(108-68-9)IR1
3,5-Dimethylphenol(108-68-9)IR2
3,5-Dimethylphenol(108-68-9)IR3
3,5-Dimethylphenol(108-68-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dimethylphenol, 99+%(108-68-9)
[Alfa Aesar]

3,5-Dimethylphenol, 98+%(108-68-9)
[Sigma Aldrich]

108-68-9(sigmaaldrich)
[TCI AMERICA]

3,5-Dimethylphenol,>99.0%(GC)(108-68-9)
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