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D175404

Sigma-Aldrich

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
Beilstein:
1099267
EC Number:
202-439-5
MDL number:
MFCD00002304
UNSPSC Code:
12352100
PubChem Substance ID:
24893534
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

100

Assay

98%

form

crystals

bp

227 °C (lit.)

mp

65-68 °C

storage temp.

2-8°C

SMILES string

Cc1ccc(O)cc1C

InChI

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

InChI key

YCOXTKKNXUZSKD-UHFFFAOYSA-N

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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.[1]
  • Bromination of 3,4-dimethylphenol using bromine can lead to 6-bromo-3,4-dimethylphenol.[2]
  • 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.[3]

Legal Information

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

Signal Word

Danger

Hazard Statements

H301 + H311,H314,H411

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR9229
SHBR8146
SHBR4059
SHBQ9776
SHBP6059

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A convenient synthesis of dihydrocoumarins from phenols and cinnamic acid derivatives
Aoki S, et al.
Tetrahedron, 61(39), 9291-9297 (2005)
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)
Maria Concetta Tomei et al.
Environmental science and pollution research international, 15(3), 188-195 (2008-05-28)
In this study, attention was focused on substituted phenols because of their widespread presence in industrial effluents originating from many different sources: they are major constituents of wastewater from coal conversion processes, coke ovens, petroleum refineries and petrochemical industries, resin
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
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