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3,4-Dimethylphenol

Description References

3,4-Dimethylphenol

CAS No.95-65-8
Chemical Name:3,4-Dimethylphenol
CBNumber:CB4723194
Molecular Formula:C8H10O
Formula Weight:122.16
MOL File:95-65-8.mol

3,4-Dimethylphenol Property

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)
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
Odor Type dry
biological source synthetic
explosive limit 1.4%(V)
Water Solubility SLIGHTLY SOLUBLE
JECFA Number 708
Merck 14,10082
BRN 1099267
Exposure limits ACGIH: TWA 1 ppm
InChIKey YCOXTKKNXUZSKD-UHFFFAOYSA-N
LogP 2.23 at 25℃
Substances Added to Food (formerly EAFUS) 3,4-XYLENOL
CAS DataBase Reference 95-65-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 4L479F5JU6
NIST Chemistry Reference Phenol, 3,4-dimethyl-(95-65-8)
EPA Substance Registry System 3,4-Dimethylphenol (95-65-8)
UNSPSC Code 12352100
NACRES NA.22

Safety

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 Data :95-65-8(Hazardous Substances Data)

NFPA 704:

	2
3		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H301+H311-H314-H411
Precautionary statements P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

3,4-Dimethylphenol Price More Price(10)

Brand: Sigma-Aldrich(India)
Product number: W359602
Product name : 3,4-Xylenol
Purity: ≥98%, FG
Packaging: 1SAMPLE
Price: ₹5141.88
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W359602
Product name : 3,4-Xylenol
Purity: ≥98%, FG
Packaging: 250G
Price: ₹8519.28
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W359602
Product name : 3,4-Xylenol
Purity: ≥98%, FG
Packaging: 1KG
Price: ₹24529.45
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W359602
Product name : 3,4-Xylenol
Purity: ≥98%, FG
Packaging: 5KG
Price: ₹101841.6
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: D175404
Product name : 3,4-Dimethylphenol
Purity: 98%
Packaging: 5G
Price: ₹2078.4
Updated: 2022/06/14
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3,4-Dimethylphenol Chemical Properties,Usage,Production

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
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
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.]
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.