| Identification | More | [Name]
3,4-Dimethylphenol | [CAS]
95-65-8 | [Synonyms]
1-HYDROXY-3,4-DIMETHYLBENZENE
3,4-DIMETHYLPHENOL
3,4-DMP
3,4-XYLENOL
4-HYDROXY-O-XYLENE
ASYM-O-XYLENOL
FEMA 3596
O-XYLENOL
1,2-Dimethyl-4-hydroxybenzene
1,3,4-Xylenol
3,4-dimethyl-pheno
4,5-Dimethylphenol
4-Hydroxy-1,2-dimethylbenzene
ai3-01552
as-o-xylenol
o-4-Xylenol
Phenol,3,4-dimethyl-
3 4-XYLENOL 98+%
3,4-DIMETHYLPHENOL PESTANAL
3,4-Dimethylphenol, 98+% | [EINECS(EC#)]
202-439-5 | [Molecular Formula]
C8H10O | [MDL Number]
MFCD00002304 | [Molecular Weight]
122.16 | [MOL File]
95-65-8.mol |
| Chemical Properties | Back Directory | [Appearance]
YELLOW TO BROWNISH CRYSTALLINE MASS | [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 | [refractive index ]
1.5442 | [Fp ]
61 °C
| [storage temp. ]
Store below +30°C. | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
pK1:10.32 (25°C) | [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 | [biological source]
synthetic | [explosive limit]
1.4%(V) | [Odor Type]
dry | [Water Solubility ]
SLIGHTLY SOLUBLE | [JECFA Number]
708 | [Merck ]
14,10082 | [BRN ]
1099267 | [Henry's Law Constant]
2.6×101 mol/(m3Pa) at 25℃, Brockbank (2013) | [Exposure limits]
ACGIH: TWA 1 ppm | [InChI]
1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3 | [InChIKey]
YCOXTKKNXUZSKD-UHFFFAOYSA-N | [SMILES]
Cc1ccc(O)cc1C | [LogP]
2.23 at 25℃ | [CAS DataBase Reference]
95-65-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Phenol, 3,4-dimethyl-(95-65-8) | [EPA Substance Registry System]
95-65-8(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS05,GHS06,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H301+H311-H314-H411 | [Precautionary statements ]
P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 | [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 ]
ZE6300000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29071400 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Chronic 2
Eye Dam. 1
Skin Corr. 1B | [Hazardous Substances Data]
95-65-8(Hazardous Substances Data) |
| Hazard Information | Back Directory | [General Description]
Colorless to light tan crystalline powder or solid. Odor threshold 1.2 mg/L. Taste threshold 0.05 mg/L. | [Reactivity Profile]
3,4-DIMETHYLPHENOL(95-65-8) is incompatible with bases, acid chlorides, acid anhydrides, and oxidizing agents. 3,4-DIMETHYLPHENOL(95-65-8) corrodes steel, brass, copper, and copper alloys. | [Air & Water Reactions]
Hygroscopic. Insoluble in water. | [Fire Hazard]
Flash point data for this chemical are not available. 3,4-DIMETHYLPHENOL is probably combustible. | [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. | [Uses]
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 | [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.] | [Toxics Screening Level]
The current initial threshold screening level (ITSL) for 3,4-dimethylphenol is 3.5 μg/m3 based on an annual averaging time. |
| Questions And Answer | Back Directory | [Description]
3,4-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
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