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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
Assay:
98%
Form:
crystals

Key Documents

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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

Related Categories

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)
A P Hart et al.
Journal of forensic sciences, 42(4), 693-696 (1997-07-01)
Phenol (carbolic acid) is widely used as a disinfectant as well as in the chemical industry as an intermediate in the synthesis of a variety of chemicals. Phenol is also the major metabolite of benzene which is used in many
M Bartilson et al.
Molecular & general genetics : MGG, 220(2), 294-300 (1990-01-01)
The gene organization of the phenol catabolic pathway of Pseudomonas CF600 has been investigated. This strain can grow on phenol and some methylated phenols by virtue of an inducible phenol hydroxylase and metacleavage pathway enzymes. The genes coding for these
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