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Merck
CN

D175404

3,4-Dimethylphenol

98%

Synonym(s):

1,2-Dimethyl-4-hydroxybenzene, 3,4-Xylenol, 4-Hydroxy-o-xylene

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About This Item

Linear Formula:
(CH3)2C6H3OH
CAS Number:
95-65-8
Molecular Weight:
122.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24893534
EC Number:
202-439-5
Beilstein/REAXYS Number:
1099267
MDL number:
MFCD00002304

Key Documents

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Product Name

3,4-Dimethylphenol, 98%

InChI key

YCOXTKKNXUZSKD-UHFFFAOYSA-N

InChI

1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3

SMILES string

Cc1ccc(O)cc1C

assay

98%

form

crystals

bp

227 °C (lit.)

mp

65-68 °C

storage temp.

2-8°C

Quality Level

100

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Application

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.

Legal Information

Selectfluor is a registered trademark of Merck KGaA, Darmstadt, Germany

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Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBT2483
SHBS9762
SHBR9229
SHBR8146
SHBR4059

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Efficient Synthesis of 4-Fluorocyclohexa-2, 5-dienone Derivatives using N-fluoro-1, 4-diazoniabicyclo [2.2. 2] octane Salt Analogues
Stavber S, et al.
Synlett, 1999(09), 1375-1378 (1999)
Synthesis, x-ray structures, conformational fixation, and proton NMR spectroscopic studies.
Andreetti G D, et al.
The Journal of Organic Chemistry, 58(15), 4023-4032 (1993)
A convenient synthesis of dihydrocoumarins from phenols and cinnamic acid derivatives
Aoki S, et al.
Tetrahedron, 61(39), 9291-9297 (2005)
L C Ng et al.
Journal of bacteriology, 177(6), 1485-1490 (1995-03-01)
Pseudomonas putida P35X (NCIB 9869) metabolizes phenol and monomethylphenols via a chromosomally encoded meta-cleavage pathway. We have recently described a 13.4-kb fragment of the chromosome that codes for the first eight genes of the catabolic pathway and a divergently transcribed
L Puig-Grajales et al.
Water science and technology : a journal of the International Association on Water Pollution Research, 48(6), 171-178 (2003-12-03)
Denitrification is a feasible alternative for the treatment of phenolic bearing-wastewaters. The aim of this study was to evaluate the biodegradability of phenolic compounds, as the only carbon and energy source in batch and continuous experiments, using nitrate as a
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