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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
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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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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)
A convenient synthesis of dihydrocoumarins from phenols and cinnamic acid derivatives
Aoki S, et al.
Tetrahedron, 61(39), 9291-9297 (2005)
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)
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
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
View All Related Papers

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