3,4-Dimethylphenol

3,4-Dimethylphenol Basic information
Description References
Product Name:3,4-Dimethylphenol
Synonyms:1,2-Dimethyl-4-hydroxybenzene;1,3,4-Xylenol;3,4-dimethyl-pheno;4,5-Dimethylphenol;3 4-XYLENOL 98+%;3,4-DIMETHYLPHENOL PESTANAL;3,4-Dimethylphenol, 98+%;3, 4-Xylenol (3,4-Dimethylphenol)
CAS:95-65-8
MF:C8H10O
MW:122.16
EINECS:202-439-5
Product Categories:Aromatics;Aromatic Phenols;Industrial/Fine Chemicals
Mol File:95-65-8.mol
3,4-Dimethylphenol Structure
3,4-Dimethylphenol Chemical Properties
Melting point 65-68 °C
Boiling point 227 °C(lit.)
density 1,138 g/cm3
vapor pressure 0.475-130Pa at 25-66.2℃
refractive index 1.5442
FEMA 3596 | 3,4-XYLENOL
Fp 61 °C
storage temp. Store below +30°C.
solubility Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pkapK1:10.32 (25°C)
form Crystalline Powder
color Off-white to pale cream
OdorDIMETHYLPHENOL slightly smoky and earthy character provides nice roasted notes to seafood, mushroom and coffee flavors.flat dry
Odor Typedry
explosive limit1.4%(V)
Water Solubility SLIGHTLY SOLUBLE
Merck 14,10082
JECFA Number708
BRN 1099267
Exposure limitsACGIH: TWA 1 ppm
InChIKeyYCOXTKKNXUZSKD-UHFFFAOYSA-N
LogP2.23 at 25℃
CAS DataBase Reference95-65-8(CAS DataBase Reference)
NIST Chemistry ReferencePhenol, 3,4-dimethyl-(95-65-8)
EPA Substance Registry System3,4-Dimethylphenol (95-65-8)
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 ZE6300000
TSCA Yes
HazardClass 6.1
PackingGroup II
HS Code 29071400
Hazardous Substances Data95-65-8(Hazardous Substances Data)
MSDS Information
ProviderLanguage
1-Hydroxy-3,4-dimethylbenzene English
ACROS English
SigmaAldrich English
ALFA English
3,4-Dimethylphenol Usage And Synthesis
Description3,4-methylphenol (also 3,4-xylenol) has a flat, dry odor. It can be used as a flavoring agent without safety concern at current levels of intake. 3,4-dimethylphenol is used as an agent in the spectrophotometric method to determine nitrate in plants, soils, and water. It is also used to produce adhesive/sealant and resins as negative photoresist for electroplating.
References[1] R. R. Elton-Bott, A modified spectrophotometric method for nitrate in plants, soils and water by nitration of 3,4-dimethylphenol, Analytica Chimica Acta, 1977, vol. 90, 215-221
[2] George A. Burdock, Fenaroli’s Handbook of Flavor Ingredients, Sixth Edition, 2010
[3] Chia L. Wang, John Davis, Bryan Lienke, Polyurethane systems having non-sag paintability and primerless adhesion on concrete, Patent, 2012
[4] Yasuo Masuda, Yasushi Washio, Koji Saito, Method of forming plated product using negative photoresist composition and photosensitive composition used therein, Patent, 2012
Chemical PropertiesYELLOW TO BROWNISH CRYSTALLINE MASS
OccurrenceReported found in coffee, tomato, parmesan and romano cheese, smoked fatty fish, white wine, katsuobushi (dried bonito) and wood vinegar.
UsesApplications of 3,4-dimethylphenol:
  • It can react with ethyl cinnamates in trifluoroacetic acid to form the corresponding dihydrocoumarin derivatives.
  • Bromination of 3,4-dimethylphenol using bromine can lead to 6-bromo-3,4-dimethylphenol.
  • It can react with 1-fluoro-4-chloromethyl-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoro-borate) (Selectfluor? F-TEDA-BF4) to form 4-fluoro-3,4-dimethylcyclohexa-2,5-dienone.

DefinitionChEBI: 3,4-xylenol is a member of the class of phenols that is phenol substituted by methyl groups at positions 3 and 4. It derives from a hydride of an o-xylene.
Aroma threshold valuesDetection: 1.2 ppm
General DescriptionColorless to light tan crystalline powder or solid. Odor threshold 1.2 mg/L. Taste threshold 0.05 mg/L.
Air & Water ReactionsHygroscopic. Insoluble in water.
Reactivity Profile3,4-Dimethylphenol is incompatible with bases, acid chlorides, acid anhydrides, and oxidizing agents. 3,4-Dimethylphenol corrodes steel, brass, copper, and copper alloys.
Fire HazardFlash point data for 3,4-Dimethylphenol are not available. 3,4-Dimethylphenol is probably combustible.
Purification MethodsHeat 3,4-xylenol with an equal weight of conc H2SO4 at 103-105o for 2-3hours, then dilute it with four volumes of water, reflux it for 1hour, and either steam distil or extract it repeatedly with diethyl ether after cooling to room temperature. The steam distillate is also extracted and evaporated to dryness. (The purification process depends on the much slower sulfonation of 3,4-dimethylphenol than most of its likely contaminants.). It can also be crystallised from water, hexane or pet ether, and sublimed in a vacuum. [Kester Ind Eng Chem (Anal Ed) 24 770 1932, Bernasconi & Paschalis J Am Chem Soc 108 29691986, Beilstein 6 IV 3099.]
3,5-Dimethylphenol,>98%,3,5-DIMETHYLPHENOL, 1000MG, NEAT,3,5-dimethylphenol solution 2,5-Dimethylphenol, tech., 97%,2,5-DIMETHYLPHENOL, 99+%,2,5-Dimethylphenol,97%,2,5-DIMETHYLPHENOL/ GEMFIBROZIL Dimethyl sulfone Pcmx(4Chloro3,5Dimethylphenol),4Chloro3,5Dimethylphenol(Pcmx) N,N-Dimethylformamide 3,4-dihydro-5,6,7-trimethoxy-2-naphthoic acid 2,6-Dimethylphenol, 99.8%,2,6-Dimethylphenol,99%,2,6-DIMETHYLPHENOL PESTANAL Poly(dimethylsiloxane) 3,4-Dimethylphenol 2-HYDROXY-9-FLUORENONE XYLENOL ORANGE DIMETHYLPHENOL,2,4-(SG),2,4-DIMETHYLPHENOL(2,4-XYLENOL),2,4-DIMETHYLPHENOL, 1X1ML, MEOH, 5000UG/ ML,2,4-dimethylphenol solution N,N-Dimethylaniline Dimethyl sulfoxide N,N-Dimethylacetamide CHLOROPHOSPHONAZO III Xylenol Bromocresol green

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