3,4-Dimethylphenol supplier

Name
3,4-Dimethylphenol
EINECS 202-439-5
CAS No. 95-65-8
Article Data108
CAS DataBase
Density 1.014 g/cm³
Solubility Insoluble in water
Melting Point 65-68 °C
Formula C₈H₁₀O
Boiling Point 226.9 °C at 760 mmHg
Molecular Weight 122.167
Flash Point 94 °C
Transport Information UN 2261 6.1/PG 2
Appearance Colorless to light tan crystalline powder
Safety 26-36/37/39-45-61
Risk Codes 24/25-34-51/53
Molecular Structure
Hazard Symbols T, N
Synonyms 3,4-Xylenol(8CI);1,3,4-Xylenol;1-Hydroxy-3,4-dimethylbenzene;3,4-DMP;3,4-Dimethylphenol;4,5-Dimethylphenol;4-Hydroxy-1,2-dimethylbenzene;NSC 1549;3,4-Xylenol;
PSA 20.23000
LogP 2.00900

Synthetic route

: 31599-61-8
3,4-dimethyliodobenzene

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
Stage #1: 3,4-dimethyliodobenzene With copper(l) iodide; tetra(n-butyl)ammonium hydroxide In water at 60℃; for 24h; Inert atmosphere; Sealed tube; Stage #2: With hydrogenchloride In water; ethyl acetate at 20℃; for 2h; Inert atmosphere; chemoselective reaction;	97%
Stage #1: 3,4-dimethyliodobenzene With copper(l) iodide; 2-methyl-8-quinolinol; tetra(n-butyl)ammonium hydroxide In water; dimethyl sulfoxide at 100℃; for 10h; Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide at 20℃;	96%
With lithium salt of proline; tetrabutylammomium bromide; potassium hydroxide; copper dichloride In water at 120℃; for 0.666667h; Microwave irradiation; Green chemistry;	79%

: 17994-04-6
1,2-dimethyl-4-trimethylsilyloxybenzene

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0833333h; Green chemistry;	97%

: 17355-90-7
2-<3,4-Dimethyl-phenoxy>-tetrahydro-pyran

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; sodium cyanoborohydride In tetrahydrofuran for 8h; Ambient temperature;	95%

: 22618-23-1
3,4-dimethylphenyl acetate

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With aluminium trichloride; potassium iodide In water; acetonitrile at 80℃; for 5h;	95%

: 95-64-7
4-amino-o-xylene

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite at 0 - 85℃; for 0.5h; Solvent;	94.5%
Diazotization.Zersetzung der Diazoniumsulfatloesung mit Dampf;

: 4685-47-6
3,4-dimethylanisole

A: 95-65-8
3,4-Dimethylphenol

B: 10463-42-0
3,4-dimethyl-cyclohex-2-enone

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium In tetrahydrofuran; ethanol at -30℃; for 2h;	A 3% B 94%

: 1073-14-9
4,4-dimethylcyclohexa-2,5-dienone

: 108-46-3
recorcinol

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether; dichloromethane for 24h; Heating;	92%

: 55499-43-9
3,4-dimethyl phenylboronic acid

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; potassium hydroxide In water at 20℃; for 0.166667h;	91%
With water; triethylamine In acetonitrile at 20℃; for 36h; Irradiation;	73%

: 94002-18-3
3,4-dimethylphenyl tosylate

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With potassium fluoride on basic alumina for 0.05h; Substitution; microwave irradiation;	90%

: 1377585-21-1
N-[(2-acetoxy-5,6-dimethyl)benzoyl]-S-methyl-S-phenylsulfoximine

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With hydrogenchloride In water at 80℃; for 48h;	89%

: 5715-23-1
3,4-dimethylcyclohexanol

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With 7.2mol% Au9-Pd alloy nanoparticles supported on Mg-Al-layered double hydroxide (LDH); air In N,N-dimethyl acetamide at 130℃; under 760.051 Torr; for 3h;	74%
With Pd(OH)x/Ni1Mg2Al1-layered triple hydroxide In N,N-dimethyl acetamide at 150℃; under 760.051 Torr; for 8h; Schlenk technique; Inert atmosphere;	97 %Chromat.

: 67-56-1
methanol

: 106-44-5
p-cresol

A: 95-65-8
3,4-Dimethylphenol

B: 104-93-8
4-Methylanisole

C: 527-60-6
Mesitol

D: 108-39-4
3-methyl-phenol

E: 105-67-9
2,4-Xylenol

Conditions

Conditions	Yield
With hydrogen; nickel at 380℃; Product distribution; var. temp.;	A 8.3% B 2.4% C 9.6% D 1.5% E 72.1%

...Expand

: 95-47-6
o-xylene

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With dihydrogen peroxide; bis(triphenyl)oxodiphosphonium trifluoromethanesulfonate salt In ethanol; water at 20℃; for 0.666667h;	70%
With sulfuric acid at 90℃; bei der elektrolytischen Oxydation;
With dihydrogen peroxide In water at 40℃; under 1500.15 Torr; for 1h; Inert atmosphere; regioselective reaction;
Multi-step reaction with 2 steps 1: Al View Scheme
Multi-step reaction with 2 steps 1: Al View Scheme

: 4-(4-Methoxy-benzyloxy)-1,2-dimethyl-benzene

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; sodium cyanoborohydride In tetrahydrofuran for 6h; Heating;	65%

: 95-47-6
o-xylene

A: 95-65-8
3,4-Dimethylphenol

B: 576-26-1
2.6-dimethylphenol

C: 526-75-0
2,3-Dimethylphenol

D: 95-48-7
ortho-cresol

Conditions

Conditions	Yield
With O(3P) Product distribution; Mechanism; Mechanism of O(3P) oxidation via triplet diradical intermediates.;	A 13% B 2% C 23% D 62%
With 3-methylpyridazine-2-oxide at -25℃; for 0.1h; Product distribution; Mechanism; Irradiation;	A 48 % Chromat. B 8 % Chromat. C 40 % Chromat. D 4 % Chromat.
With 3-methylpyridazine-2-oxide In dichloromethane at -25℃; for 0.1h; Product distribution; Mechanism; Irradiation;	A 49 % Chromat. B 9 % Chromat. C 39 % Chromat. D 3 % Chromat.
With 3-methylpyridazine-2-oxide In methanol at -25℃; for 0.1h; Product distribution; Mechanism; Irradiation;	A 44 % Chromat. B 16 % Chromat. C 39 % Chromat. D 2 % Chromat.
With tert.-butylhydroperoxide; aluminium trichloride Product distribution; var. of reagents;	A 60 % Chromat. B 5 % Chromat. C 26 % Chromat. D 9 % Chromat.

...Expand

: 38440-90-3
1,2-Dimethyl-7-oxa-bicyclo[4.1.0]hepta-2,4-diene

A: 95-65-8
3,4-Dimethylphenol

B: 576-26-1
2.6-dimethylphenol

C: 526-75-0
2,3-Dimethylphenol

Conditions

Conditions	Yield
Product distribution; Mechanism; Decomposition by an ionic mechanism via a dipolar transient.;	A 14% B 53% C 33%

...Expand

: 115-11-7
isobutene

: 108-95-2
phenol

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
Stage #1: isobutene; phenol; sulfuric acid at 65℃; under 1520.1 Torr; Stage #2: With potassium chromate In acetic acid	50%

: 6196-95-8
1,2-dimethyl-4-(1-phenylethyl)benzene

A: 95-65-8
3,4-Dimethylphenol

B: 98-86-2
acetophenone

C: 3637-01-2
3,4-dimethylacetophenone

D: 108-95-2
phenol

Conditions

Conditions	Yield
Stage #1: 1,2-dimethyl-4-(1-phenylethyl)benzene With oxygen; N-hydroxyphthalimide; 2,2'-azobis(isobutyronitrile) In acetonitrile at 75℃; under 760.051 Torr; for 6h; Stage #2: With sulfuric acid In water; acetonitrile at 0℃; for 0.5h;	A 46% B 50% C 2.7% D n/a
Stage #1: 1,2-dimethyl-4-(1-phenylethyl)benzene With oxygen; N-hydroxyphthalimide; 2,2'-azobis(isobutyronitrile) In acetonitrile at 75℃; under 760.051 Torr; for 6h; Stage #2: In acetonitrile at 0℃; for 1h; Product distribution / selectivity;	A 50% B 50% C 1% D n/a

...Expand

: 619-04-5
3,4-dimethylbenzoic acid

A: 95-65-8
3,4-Dimethylphenol

B: 95-64-7
4-amino-o-xylene

C: 87-59-2
2,3-Dimethylaniline

Conditions

Conditions	Yield
With ammonia; water; copper(II) oxide at 220℃; for 0.5h;	A 3.5% B 43.1% C 0.9%

...Expand

: 95-47-6
o-xylene

A: 95-65-8
3,4-Dimethylphenol

B: 526-75-0
2,3-Dimethylphenol

Conditions

Conditions	Yield
Stage #1: o-xylene With spiro[bicyclo[2.2.1]heptane-2,4′-[1,2]dioxolane]-3′,5′-dione at 40℃; for 96h; Sealed tube; Stage #2: With methylamine In ethanol	A 41% B 24%
With dihydrogen peroxide In water at 50℃; under 1500.15 Torr; for 1h; Inert atmosphere; chemoselective reaction;
With hydroxyammonium sulfate; sulfuric acid; acetic acid In water at 80℃; for 4h;

: 95-47-6
o-xylene

A: 95-65-8
3,4-Dimethylphenol

B: 611-14-3
2-Ethyltoluene

C: 95-63-6
1,2,4-Trimethylbenzene

D: 526-75-0
2,3-Dimethylphenol

E: 89-95-2
2-methyl-benzyl alcohol

F: 952-80-7
1,2-bis(2-methylphenyl)ethane

Conditions

Conditions	Yield
With peracetic acid at 20 - 22℃; Product distribution; Irradiation; λ=2537 Angstroem;	A n/a B 24.3% C n/a D n/a E 15.1% F n/a

...Expand

: 95-47-6
o-xylene

A: 95-65-8
3,4-Dimethylphenol

B: 576-26-1
2.6-dimethylphenol

C: 526-75-0
2,3-Dimethylphenol

D: 69886-23-3, 95190-98-0
3,3,10,10-Tetramethyl-tricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione

Conditions

Conditions	Yield
With bis-trimethylsilanyl peroxide; trifluorormethanesulfonic acid at -50℃; for 0.5h; Yields of byproduct given;	A n/a B n/a C n/a D 21%

...Expand

: 104-93-8
4-Methylanisole

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With aluminium trichloride at 100℃;

: 4685-47-6
3,4-dimethylanisole

: 628-13-7
pyridine hydrochloride

: 95-65-8
3,4-Dimethylphenol

: 2-hydroxy-4,5-dimethyl-isophthalic acid

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With quinoline

: 100-66-3
methoxybenzene

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With aluminium trichloride at 100℃;

: 100-84-5
1-methoxy-3-methyl-benzene

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With aluminium trichloride at 100℃;

: 1073-14-9
4,4-dimethylcyclohexa-2,5-dienone

: 95-65-8
3,4-Dimethylphenol

Conditions

Conditions	Yield
With trifluoroacetic acid In water at 38.5℃; Rate constant;

: 95-65-8
3,4-Dimethylphenol

: 22802-39-7
2-bromo-4,5-dimethylphenol

Conditions

Conditions	Yield
With bromine In dichloromethane at -78℃; for 1h;	100%
With tetra-N-butylammonium tribromide In methanol; dichloromethane at 20℃; for 1h;	97%
With tetra-N-butylammonium tribromide In methanol; dichloromethane for 0.5h; Ambient temperature; reagent 1.0 equivalent;	93%

: 95-65-8
3,4-Dimethylphenol

: 115-11-7
isobutene

: 1445-23-4
2-(1,1-dimethylethyl)-4,5-dimethylphenol

Conditions

Conditions	Yield
With sulfuric acid at 65℃; under 1034.3 Torr; for 3h;	100%
With sulfuric acid at 70℃;
sulfuric acid at 65℃; under 1520.1 Torr;
With sulfuric acid at 65 - 70℃; for 2h;	114.1 g

: 95-65-8
3,4-Dimethylphenol

: 96-32-2
bromoacetic acid methyl ester

: 95450-81-0
(3,4-dimethyl-phenoxy)-acetic acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate In butanone for 5.5h; Heating;	100%
With potassium carbonate In butanone for 4h; Heating / reflux;	93%

: 95-65-8
3,4-Dimethylphenol

: 20583-78-2, 24393-65-5
ethyl (E)-3,4-dimethoxycinnamate

: 4-(3,4-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydrocoumarin

Conditions

Conditions	Yield
With trifluoroacetic acid at 20℃; for 24h;	100%

: 95-65-8
3,4-Dimethylphenol

: 943-89-5
(E)-3-(4-methoxyphenyl)acrylic acid

: 85903-43-1
6,7-dimethyl-4-(4'-methoxyphenyl)-3,4-dihydrocoumarin

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃; for 24h;	100%

: 95-65-8
3,4-Dimethylphenol

: 24393-56-4
ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate

: 85903-43-1
6,7-dimethyl-4-(4'-methoxyphenyl)-3,4-dihydrocoumarin

Conditions

Conditions	Yield
With trifluoroacetic acid at 20℃; for 24h;	100%

: 95-65-8
3,4-Dimethylphenol

: 4046-02-0
ethyl 4-hydroxy-3-methoxycinnamate

: 4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydrocoumarin

Conditions

Conditions	Yield
With trifluoroacetic acid at 20℃; for 24h;	100%

: 95-65-8
3,4-Dimethylphenol

: 7721-01-9
tantalum pentachloride

: 130136-96-8
(3,4-dimethylphenoxo)TaCl4

Conditions

Conditions	Yield
In dichloromethane to a suspension of TaCl5 in CH2Cl2 was added 3,4-dimethylphenole; was stirred by refluxing for 4 h; stoichiometric ratio of TaCl5:3,4-dimethylphenole=1:1; excess of the solvent was removed under reduced pressure; elem. anal.;	100%

: 95-65-8
3,4-Dimethylphenol

: C8H8(2)H2O

Conditions

Conditions	Yield
With perchloric acid; d(4)-methanol at 75℃; for 144h; Inert atmosphere;	100%

: 95-65-8
3,4-Dimethylphenol

: 220632-01-9, 22393-36-8
2,2'-bipyridinedichlorocopper(II)

: 138827-21-1
Cu(3,4-dimethylphenoxo)2(2,2'-bipyridine)

Conditions

Conditions	Yield
With Na In tetrahydrofuran byproducts: NaCl; refluxing 3,4-dimethylphenol and Na (16 h), addn. to CuCl2 suspn., stirring (room temp., 18 h); filtration off of NaCl, evapn. (0.3 torr), crystn. (THF); elem. anal.;	99%

: 95-65-8
3,4-Dimethylphenol

: 108-90-7
chlorobenzene

: 52509-74-7
3,4-dimethylphenyl phenyl ether

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 12h;	99%
With sodium dodecyl-sulfate; potassium carbonate In water at 80℃; under 760.051 Torr; for 9h; Ullmann Condensation; Green chemistry; chemoselective reaction;	79%

: 95-65-8
3,4-Dimethylphenol

: 616-38-6
carbonic acid dimethyl ester

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With dimanganese decacarbonyl at 180℃; for 1h; Reagent/catalyst;	99%

: 95-65-8
3,4-Dimethylphenol

: 358-23-6
trifluoromethylsulfonic anhydride

: 255837-23-1
3,4-dimethylphenyl trifluoromethanesulfonate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;	99%
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; Schlenk technique;

: 95-65-8
3,4-Dimethylphenol

: 4559-70-0
Diphenylphosphine oxide

: 1329040-45-0
(3,4-dimethylphenoxy)diphenylphosphinoxide

Conditions

Conditions	Yield
With chloroform; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 25℃; for 3h; Atherton-Todd Synthesis;	99%
With 1,4-diaza-bicyclo[2.2.2]octane; potassium iodide In acetonitrile at 20℃; for 3h; Electrolysis;	41%

: 95-65-8
3,4-Dimethylphenol

: (E)-2-(azetidin-1-yl)ethene-1-sulfonyl fluoride

: 3,4-dimethylphenyl (E)-2-(pyrrolidin-1-yl)ethene-1-sulfonate

Conditions

Conditions	Yield
With potassium hydroxide In acetonitrile at 50℃; stereoselective reaction;	99%

: 95-65-8
3,4-Dimethylphenol

: 7721-01-9
tantalum pentachloride

: 130136-97-9
(3,4-dimethylphenoxo)2TaCl3

Conditions

Conditions	Yield
In benzene byproducts: HCl; to a suspension of TaCl5 in C6H6 was added 3,4-dimethylphenole; was refluxed for 18 h; stoichiometric ratio of the TaCl5:3,4-dimethylphenole=1:2; excess of the solvent was removed under reduced pressure; elem. anal.;	98.8%

: 95-65-8
3,4-Dimethylphenol

: 4106-18-7
1-(phenylsulfonyl)-1H-benzo[d][1,2,3]triazole

: 107775-23-5
3,4-dimethylphenyl benzenesulfonate

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran for 20h; Ambient temperature;	98%

: 95-65-8
3,4-Dimethylphenol

: 75-36-5
acetyl chloride

: 36436-65-4
2-acetyl-4,5-dimethylphenol

Conditions

Conditions	Yield
With aluminium trichloride at 180℃; for 0.5h;	98%
With aluminum (III) chloride In 1,2-dichloro-ethane at 100℃; for 5h; Inert atmosphere;	85%

: 95-65-8
3,4-Dimethylphenol

: 121-44-8
triethylamine

: C16H19O2PS2*C6H15N

Conditions

Conditions	Yield
Stage #1: 3,4-Dimethylphenol With tetraphosphorus decasulfide In toluene at 40℃; Schlenk technique; Stage #2: triethylamine In toluene Schlenk technique;	98%

: 95-65-8
3,4-Dimethylphenol

: 1-(4-(tert-butyl)phenyl)pyrrolidine

: C22H29NO

Conditions

Conditions	Yield
With Difluoroacetic acid; 5% palladium on Al2O3; oxygen at 20℃; for 70h;	98%

: 95-65-8
3,4-Dimethylphenol

: 35787-71-4
thianthrene cation radical perchlorate

: 5-(2-Hydroxy-4,5-dimethyl-phenyl)-thianthren-5-ium; perchlorate

Conditions

Conditions	Yield
In acetonitrile for 0.5h;	97%

: 95-65-8
3,4-Dimethylphenol

: 591-50-4
iodobenzene

: 52509-74-7
3,4-dimethylphenyl phenyl ether

Conditions

Conditions	Yield
With copper(II) glycinate monohydrate; potassium hydroxide In dimethyl sulfoxide at 80℃; for 8h; Ullmann reaction;	97%
With 2,2,6,6-tetramethylheptane-3,5-dione; iron(III) chloride; caesium carbonate In N,N-dimethyl-formamide at 135℃; for 20h;	92%
With potassium carbonate In N,N-dimethyl-formamide at 110℃;	85%

: 95-65-8
3,4-Dimethylphenol

: 3,5-dimethylphenyl 16-chloro-16-oxohexadecanoate

: C32H46O4

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 35℃; for 12h;	97%

: 95-65-8
3,4-Dimethylphenol

: 22802-40-0
2,6-dibromo-3,4-dimethylphenol

Conditions

Conditions	Yield
With benzyltrimethylammonium tribromide In methanol; dichloromethane	96%
With benzyltrimethylazanium tribroman-2-uide In methanol; dichloromethane for 0.5h; Ambient temperature; reagent 2.1 equivalent;	93%
With bromine; sodium acetate In acetic acid at 20℃; for 25h; Inert atmosphere;	69%
With bromine; acetic acid

: 95-65-8
3,4-Dimethylphenol

: 77-78-1
dimethyl sulfate

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With sodium hydroxide at 0 - 50℃; for 2h;	96%
With aluminum oxide; potassium hydroxide for 10h; microwave irradiation;	75%
With sodium hydroxide at 90℃;

: 95-65-8
3,4-Dimethylphenol

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 17994-04-6
1,2-dimethyl-4-trimethylsilyloxybenzene

Conditions

Conditions	Yield
With 1,3-disulfonic acid imidazolium hydrogen sulfate In neat (no solvent) at 20℃; for 0.0333333h; Green chemistry;	96%
With 3-methyl-1-sulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0333333h; Neat (no solvent);	95%
at 125℃; for 0.166667h; Microwave irradiation;

: 95-65-8
3,4-Dimethylphenol

: 50-00-0
formaldehyd

: 103-49-1
dibenzylamine

: 2-((dibenzylamino)methyl)-4,5-dimethylphenol

Conditions

Conditions	Yield
for 0.583333h; Microwave irradiation;	96%

...Expand

: 95-65-8
3,4-Dimethylphenol

: 50-00-0
formaldehyd

: 10496-92-1
4,5-dimethyl-2-hydroxybenzyl alcohol

Conditions

Conditions	Yield
With sodium metaborate tetrahydrate In water at 40℃; for 10h; Green chemistry; regioselective reaction;	95%
With sodium hydroxide In water for 1.5h; Ambient temperature;	51%
With sodium hydroxide

3,4-Dimethylphenol Consensus Reports

Reported in EPA TSCA Inventory.

3,4-Dimethylphenol Specification

The IUPAC name of 3,4-Xylenol is 3,4-dimethylphenol. With the CAS registry number 95-65-8, it is also named as 1-Hydroxy-3,4-dimethylbenzene. The product's categories are Industrial / Fine Chemicals; Aromatic Phenols. Besides, it is colorless to light tan crystalline powder, which should be stored in tightly sealed containers in a cool and ventilated place away from fire, heat source. In addition, this chemical is insoluble in water and incompatible with bases, acid chlorides, acid anhydrides, and oxidizing agents. And it corrodes steel, brass, copper, and copper alloys.

The other characteristics of this product can be summarized as: (1)EINECS: 202-439-5; (2)ACD/LogP: 2.40; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.4; (5)ACD/LogD (pH 7.4): 2.4; (6)ACD/BCF (pH 5.5): 39.41; (7)ACD/BCF (pH 7.4): 39.37; (8)ACD/KOC (pH 5.5): 482.77; (9)ACD/KOC (pH 7.4): 482.27; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 37.78 cm³; (15)Molar Volume: 120.4 cm³; (16)Surface Tension: 37.2 dyne/cm; (17)Density: 1.014 g/cm³; (18)Flash Point: 94 °C; (19)Melting point: 63-67 °C; (20)Enthalpy of Vaporization: 48.23 kJ/mol; (21)Boiling Point: 226.9 °C at 760 mmHg; (22)Vapour Pressure: 0.053 mmHg at 25 °C.

Preparation of 3,4-Xylenol: this chemical can be prepared by sulfonating, alkali fusion, acid out and distillation of o-Xylene. Additionally, it also can be produced by 3,4-Dimethyl-anisole.

This reaction needs Li, HMPA, Tetrahydrofuran and Ethanol at temperature of -30 °C. The reaction time is 2 hours. The yield is 94 %.

Uses of 3,4-Xylenol: this product can be used for the preparation of the imine resins (engineering plastics), disinfectants, pesticides, dyes and spices. Furthermore, it can be used for the production of 2,6-Dibromo-3,4-dimethyl-phenol.

This reaction needs Benzyltrimethylammonium tribromide, polymer-bound, CH₂Cl₂ and Methanol. The yield is 96 %.

When you are using this chemical, please be cautious about it as the following: it is toxic in contact with skin and if swallowed. It also may cause burns. You should wear suitable protective clothing, gloves and eye / face protection. Moreover,it is toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. Please avoid release to the environment. And please refer to special instructions / safety data sheets. What's more, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC1=C(C=C(C=C1)O)C
(2)InChI: InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
(3)InChIKey: YCOXTKKNXUZSKD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	50mg/kg (50mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0533431,
mouse	LD50	oral	400mg/kg (400mg/kg)	BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Hygiene and Sanitation Vol. 33(7-9), Pg. 329, 1968.
rabbit	LD50	oral	800mg/kg (800mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Hygiene and Sanitation Vol. 33(7-9), Pg. 329, 1968.
rat	LD50	intraperitoneal	200mg/kg (200mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0533431,
rat	LD50	oral	727mg/kg (727mg/kg)		Gigiena Truda i Professional'naya Patologiya v Estonskoi SSR. Labor Hygiene and Occupational Pathology in the Estonian SSR. Vol. 8, Pg. 145, 1972.

Product Name

3,4-Dimethylphenol

Synthetic route

3,4-Dimethylphenol Consensus Reports

3,4-Dimethylphenol Specification

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