3,4-Dimethylphenol
Synonym(s):1,2-Dimethyl-4-hydroxybenzene;3,4-Dimethylphenol;3,4-DMP, asym.-o-Xylenol;3,4-Xylenol;4-Hydroxy-o-xylene
- CAS NO.:95-65-8
- Empirical Formula: C8H10O
- Molecular Weight: 122.16
- MDL number: MFCD00002304
- EINECS: 202-439-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-11-29 16:31:21
What is 3,4-Dimethylphenol?
Chemical properties
YELLOW TO BROWNISH CRYSTALLINE MASS
Occurrence
Reported found in coffee, tomato, parmesan and romano cheese, smoked fatty fish, white wine, katsuobushi (dried bonito) and wood vinegar.
The Uses of 3,4-Dimethylphenol
Applications 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.
Definition
ChEBI: 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 values
Detection: 1.2 ppm
General Description
Colorless to light tan crystalline powder or solid. Odor threshold 1.2 mg/L. Taste threshold 0.05 mg/L.
Air & Water Reactions
Hygroscopic. Insoluble in water.
Reactivity Profile
3,4-Dimethylphenol is incompatible with bases, acid chlorides, acid anhydrides, and oxidizing agents. 3,4-Dimethylphenol corrodes steel, brass, copper, and copper alloys.
Fire Hazard
Flash point data for 3,4-Dimethylphenol are not available. 3,4-Dimethylphenol is probably combustible.
Purification Methods
Heat 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.]
Properties of 3,4-Dimethylphenol
Melting point: | 65-68 °C |
Boiling point: | 227 °C(lit.) |
Density | 1,138 g/cm3 |
vapor pressure | 0.475-130Pa at 25-66.2℃ |
FEMA | 3596 | 3,4-XYLENOL |
refractive index | 1.5442 |
Flash point: | 61 °C |
storage temp. | Store below +30°C. |
solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
pka | pK1:10.32 (25°C) |
form | Crystalline Powder |
color | Off-white to pale cream |
Odor | DIMETHYLPHENOL slightly smoky and earthy character provides nice roasted notes to seafood, mushroom and coffee flavors.flat dry |
explosive limit | 1.4%(V) |
Water Solubility | SLIGHTLY SOLUBLE |
Merck | 14,10082 |
JECFA Number | 708 |
BRN | 1099267 |
Exposure limits | ACGIH: TWA 1 ppm |
CAS DataBase Reference | 95-65-8(CAS DataBase Reference) |
NIST Chemistry Reference | Phenol, 3,4-dimethyl-(95-65-8) |
EPA Substance Registry System | 3,4-Dimethylphenol (95-65-8) |
Safety information for 3,4-Dimethylphenol
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 Skull and Crossbones Acute Toxicity GHS06 Environment GHS09 |
GHS Hazard Statements |
H314:Skin corrosion/irritation H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3,4-Dimethylphenol
InChIKey | YCOXTKKNXUZSKD-UHFFFAOYSA-N |
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