4-hydroxy-2,4,6-trimethyl-cyclohexa-2,5-dienone
B
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With sodium hypochlorite In water; ethyl acetate | A n/a B 100% |
Conditions | Yield |
---|---|
With copper diacetate; ethylene glycol at 50℃; for 8h; Green chemistry; regioselective reaction; | 92% |
With ammonium acetate; potassium hexacyanoferrate(III) In methanol; water at 45℃; for 10h; | 90% |
With dimethyl selenoxide In benzene for 1.5h; Heating; | 80% |
2.6-dimethylphenol
hexamethylenetetramine
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
In trifluoroacetic acid at 80℃; for 12h; Duff reaction; | 92% |
With acetic acid In water for 4h; Reflux; Inert atmosphere; | 70% |
With acetic acid In water at 100℃; for 4h; | |
With acetic acid In water at 105 - 120℃; for 6h; Duff Aldehyde Synthesis; Dean-Stark; |
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With oxygen; cobalt(II) acetate; sodium hydroxide In water; ethylene glycol at 50℃; under 760.051 Torr; for 12h; Green chemistry; | 90% |
Conditions | Yield |
---|---|
With oxygen; cobalt(II) acetate; sodium hydroxide In water; ethylene glycol at 50℃; under 760.051 Torr; for 12h; Reagent/catalyst; Solvent; Time; Green chemistry; chemoselective reaction; | 88% |
With copper diacetate; ethylene glycol at 65℃; for 12h; Green chemistry; regioselective reaction; | 87% |
With 2.9-dimethyl-1,10-phenanthroline; sodium methylate In methanol for 0.75h; | 85% |
Mesitol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
2,6-dimethyl-1,4-benzoquinone
Conditions | Yield |
---|---|
With oxygen; acetone oxime In various solvent(s) at 40℃; under 860.3 Torr; for 6h; | A 87% B 4% |
With oxygen In various solvent(s) at 60℃; under 860.3 Torr; for 5h; Product distribution; Mechanism; Rate constant; var. aditives, times, solvents; | A 77.7% B 3.7% |
With oxygen; diethylamine In various solvent(s) at 60℃; under 860.3 Torr; for 4h; Product distribution; other amines; variation of condition; | |
With oxygen; diethylamine In various solvent(s) at 60℃; under 860.3 Torr; for 4h; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With copper diacetate; ethylene glycol at 50℃; for 8h; Green chemistry; regioselective reaction; | 85% |
With ammonium acetate; potassium hexacyanoferrate(III) In methanol; water at 45℃; for 240h; | 82% |
Multi-step reaction with 2 steps 1: 20 °C 2: 280 mg / H2O / 20 °C View Scheme |
methanol
Mesitol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
2,6-dimethyl-4-(methoxymethyl)phenol
Conditions | Yield |
---|---|
With potassium hydroxide; iodine for 0.166667h; | A 5% B 84% |
With oxygen; acetone oxime at 40℃; under 860.3 Torr; for 6h; Mechanism; other alcohols, var. times; | A 4% B 64% |
With oxygen; copper dichloride; acetone oxime at 40℃; under 860.3 Torr; for 6h; | A 4% B 64% |
Mesitol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
4-(hydroxymethyl)-2,6-dimethylphenol
Conditions | Yield |
---|---|
With oxygen; horseradish peroxidase pH=7; Oxidation; electrolysis after 3 F; | A n/a B 83% |
With iron(III) perchlorate In water Kinetics; |
4-(1,3-diphenyl-imidazolidin-2-yl)-2,6-dimethyl-phenol
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride; water at 25℃; for 2h; | 80% |
2.6-dimethylphenol
Dichloromethyl methyl ether
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
Stage #1: 2.6-dimethylphenol With aluminum (III) chloride In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; Stage #2: Dichloromethyl methyl ether In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; | 71% |
Stage #1: 2.6-dimethylphenol With aluminum (III) chloride In dichloromethane at 0℃; for 0.166667h; Inert atmosphere; Stage #2: Dichloromethyl methyl ether In dichloromethane for 0.5h; Inert atmosphere; |
4-(hydroxymethyl)-2,6-dimethylphenol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
2,6-dimethyl-1,4-benzoquinone
Conditions | Yield |
---|---|
With oxygen; amine>cobalt In dichloromethane under 2585.7 Torr; for 20h; Ambient temperature; | A n/a B 70% |
With K10 montmorillonite; water; dihydrogen peroxide In tetrachloromethane at 22℃; for 2h; Oxidation; | A 3 % Chromat. B 57 % Chromat. |
Mesitol
water
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
2,6-dimethyl-4-(methoxymethyl)phenol
Conditions | Yield |
---|---|
platinum In methanol | A 70% B n/a |
Conditions | Yield |
---|---|
With hexamethylenetetramine In trifluoroacetic acid at 80℃; for 20h; Inert atmosphere; | 67% |
Multi-step reaction with 2 steps 1: 76 percent / H2O / 2.5 h / 30 °C 2: 64 percent / pyridinium chlorochromate, sodium acetate / CH2Cl2 / 2 h View Scheme | |
Multi-step reaction with 2 steps 1: aqueous NaOH 2: 230 - 240 °C View Scheme |
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With tin(ll) chloride In 1,4-dioxane Heating; | 63% |
Mesitol
hexan-1-ol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
2,6-dimethyl-4-(hexyloxymethyl)phenol
Conditions | Yield |
---|---|
With oxygen; copper dichloride; acetone oxime at 40℃; under 860.3 Torr; for 1.11667h; | A 14% B 63% |
With oxygen; acetone oxime at 40℃; under 860.3 Torr; for 1.11667h; Yield given. Yields of byproduct given; |
pentan-1-ol
Mesitol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
2,6-dimethyl-4-(pentyloxymethyl)phenol
Conditions | Yield |
---|---|
With oxygen; copper dichloride; acetone oxime at 40℃; under 860.3 Torr; for 1.13333h; | A 24% B 61% |
With oxygen; acetone oxime at 40℃; under 860.3 Torr; for 1.13333h; Yield given. Yields of byproduct given; |
propan-1-ol
Mesitol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
2,6-dimethyl-4-(propoxymethyl)phenol
Conditions | Yield |
---|---|
With oxygen; copper dichloride; acetone oxime at 40℃; under 860.3 Torr; for 1.08333h; | A 6% B 60% |
With oxygen; acetone oxime at 40℃; under 860.3 Torr; for 1.08333h; Yield given. Yields of byproduct given; |
ethanol
Mesitol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
4-(ethoxymethyl)-2,6-dimethylphenol
Conditions | Yield |
---|---|
With oxygen; copper dichloride; acetone oxime at 40℃; under 860.3 Torr; for 1.65h; | A 4% B 59% |
With oxygen; acetone oxime at 40℃; under 860.3 Torr; for 1.65h; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With oxygen; cobalt(II) acetate; sodium hydroxide In water at 50℃; under 760.051 Torr; for 3h; Mechanism; Green chemistry; regioselective reaction; | A 30% B 58% |
Mesitol
butan-1-ol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
4-(butoxymethyl)-2,6-dimethylphenol
Conditions | Yield |
---|---|
With oxygen; copper dichloride; acetone oxime at 40℃; under 860.3 Torr; for 1.08333h; | A 6% B 55% |
With oxygen; acetone oxime at 40℃; under 860.3 Torr; for 1.08333h; Yield given. Yields of byproduct given; |
Mesitol
cyclohexanol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
4-(cyclohexyloxymethyl)-2,6-dimethylphenol
Conditions | Yield |
---|---|
With oxygen; copper dichloride; acetone oxime at 40℃; under 860.3 Torr; for 5h; | A 10% B 51% |
With oxygen; acetone oxime at 40℃; under 860.3 Torr; for 5h; Yield given. Yields of byproduct given; |
3,5-dimethyl-4-hydroxybenzyl bromide
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With dipotassium hydrogenphosphate; dimethyl selenoxide In 1,2-dichloro-ethane for 0.5h; Heating; | 49% |
(E)-2,6-dimethyl-4-styrylphenol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
benzaldehyde
Conditions | Yield |
---|---|
With oxygen; CoSMDPT In 1,2-dichloro-ethane at 25℃; for 5h; | A 48% B 46% |
Mesitol
isopropyl alcohol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
2,6-dimethyl-4-(isopropoxymethyl)phenol
Conditions | Yield |
---|---|
With oxygen; copper dichloride; acetone oxime at 40℃; under 860.3 Torr; for 0.733333h; | A 21% B 45% |
With oxygen; acetone oxime at 40℃; under 860.3 Torr; for 0.733333h; Yield given. Yields of byproduct given; |
Mesitol
tert-butyl alcohol
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
4-(t-butoxymethyl)-2,6-dimethylphenol
Conditions | Yield |
---|---|
With oxygen; copper dichloride; acetone oxime at 40℃; under 860.3 Torr; for 7h; | A 10% B 12% |
With oxygen; acetone oxime at 40℃; under 860.3 Torr; for 7h; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With hydrogenchloride; aluminium trichloride; benzene zunaechst unter Kuehlung, schliesslich bei 40grad; man giesst das Reaktionsgemisch auf Eis, saeuert mit Salzsaeure an und destilliert mit Wasserdampf; |
4-(hydroxymethyl)-2,6-dimethylphenol
A
Mesitol
B
4-hydroxy-3,5-dimethylbenzaldehyde
C
3,5,3',5'-tetramethyl-stilbene-4,4'-diol
D
4,4’-(ethane-1,2-diyl)bis(2,6-dimethylphenol)
Conditions | Yield |
---|---|
at 230 - 240℃; |
4,4'-(oxybis(methylene))bis(2,6-dimethylphenol)
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
at 200℃; |
4,4'-(oxybis(methylene))bis(2,6-dimethylphenol)
A
4-hydroxy-3,5-dimethylbenzaldehyde
B
3,5,3',5'-tetramethyl-stilbene-4,4'-diol
C
4,4’-(ethane-1,2-diyl)bis(2,6-dimethylphenol)
Conditions | Yield |
---|---|
at 200℃; |
4-hydroxy-3,5-dimethylbenzaldehyde
chloromethyl methyl ether
4-(methoxymethoxy)-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
Stage #1: 4-hydroxy-3,5-dimethylbenzaldehyde With potassium carbonate In acetone at 20℃; for 0.25h; Stage #2: chloromethyl methyl ether In acetone for 2h; Reflux; | 100% |
Stage #1: 4-hydroxy-3,5-dimethylbenzaldehyde With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere; Stage #2: chloromethyl methyl ether In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere; | 92% |
Stage #1: 4-hydroxy-3,5-dimethylbenzaldehyde With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 1h; Inert atmosphere; Stage #2: chloromethyl methyl ether In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere; | 92% |
Conditions | Yield |
---|---|
With sodium acetate In water at 80℃; for 2h; | 100% |
4-hydroxy-3,5-dimethylbenzaldehyde
3,5-dimethyl-4-(3'-iso-propyl-4'-methoxyphenoxy)benzaldehyde
Conditions | Yield |
---|---|
With copper; triethylamine In dichloromethane at 0 - 20℃; for 72h; | 100% |
With copper; triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 100% |
With copper; triethylamine In dichloromethane at 0 - 20℃; for 72h; | 100% |
With copper bronze; triethylamine In dichloromethane at 0 - 20℃; for 16h; | 93% |
4-hydroxy-3,5-dimethylbenzaldehyde
4-[(4-chloro-2-pyrimidinyl)amino]benzonitrile
Conditions | Yield |
---|---|
With 1-methyl-pyrrolidin-2-one; sodium hydride In 1,4-dioxane at 150℃; for 12h; | 100% |
With sodium hydride In 1,4-dioxane; 1-methyl-pyrrolidin-2-one for 18.33h; Heating / reflux; | 98% |
o-fluorobenzyl bromide
4-hydroxy-3,5-dimethylbenzaldehyde
4-(2-Fluoro-benzyloxy)-3,5-dimethyl-benzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In DMF (N,N-dimethyl-formamide) at 90℃; | 100% |
With potassium carbonate; potassium iodide In DMF (N,N-dimethyl-formamide) |
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 90℃; | 100% |
bromethyl methyl ether
4-hydroxy-3,5-dimethylbenzaldehyde
4-(methoxymethoxy)-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran at 0℃; for 0.5h; | 100% |
4-hydroxy-3,5-dimethylbenzaldehyde
5-bromoanthranilamide
6-bromo-2-(4-hydroxy-3,5-dimethylphenyl)quinazolin-4(3H)-one
Conditions | Yield |
---|---|
With iodine In ethanol for 4h; Inert atmosphere; Reflux; | 100% |
With toluene-4-sulfonic acid; sodium hydrogensulfite In N,N-dimethyl acetamide at 135℃; for 2.5h; | 68% |
With sodium hydrogen sulfate; toluene-4-sulfonic acid In N,N-dimethyl acetamide at 135℃; for 2.5h; | 68% |
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With sulfuric acid In 1,4-dioxane at 20℃; for 72h; | 100% |
4-hydroxy-3,5-dimethylbenzaldehyde
anthranilic acid amide
Conditions | Yield |
---|---|
With iodine In ethanol for 4h; Inert atmosphere; Reflux; | 100% |
4-hydroxy-3,5-dimethylbenzaldehyde
2-amino-6-fluorobenzamide
Conditions | Yield |
---|---|
With iodine In ethanol for 4h; Inert atmosphere; Reflux; | 100% |
4-hydroxy-3,5-dimethylbenzaldehyde
2-amino-5-fluorobenzamide
Conditions | Yield |
---|---|
With iodine In ethanol for 4h; Inert atmosphere; Reflux; | 100% |
Conditions | Yield |
---|---|
With iodine In ethanol for 4h; Inert atmosphere; Reflux; | 100% |
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h; | 100% |
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h; | 100% |
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h; |
4-hydroxy-3,5-dimethylbenzaldehyde
1-iodo-propane
3,5-dimethyl-4-(propyloxy)benzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 80℃; for 20h; Inert atmosphere; | 99% |
With potassium carbonate In acetonitrile for 18h; Heating; | 96% |
4-hydroxy-3,5-dimethylbenzaldehyde
benzyl bromide
3,5-dimethyl-4-benzyloxy benzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 20℃; for 16h; Heating / reflux; | 99% |
With potassium carbonate In acetone at 50℃; for 2.5h; | 99% |
Stage #1: 4-hydroxy-3,5-dimethylbenzaldehyde With sodium hydride In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: benzyl bromide In N,N-dimethyl-formamide at 20℃; for 16h; Stage #3: With acetic acid In water; N,N-dimethyl-formamide pH=4 - 5; | 95% |
trifluoromethylsulfonic anhydride
4-hydroxy-3,5-dimethylbenzaldehyde
trifluoromethanesulfonic acid 4-formyl-2,6-dimethoxyphenyl ester
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; for 16h; | 98.9% |
4-hydroxy-3,5-dimethylbenzaldehyde
4-chloro-2-[2-(hydrazinecarbonyl)phenylamino]benzohydrazide
4-chloro-N'-(4-hydroxy-3,5-dimethylbenzylidene)-2-{2-[2(4-hydroxy-3,5-dimethylbenzylidene)hydrazinecarbonyl]phenylamino}benzohydrazide
Conditions | Yield |
---|---|
With acetic acid In ethanol Reflux; | 98.5% |
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With ammonium acetate In methanol at 20℃; | 98% |
4-chloro-6-nitroquinoline
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 5h; Sealed tube; | 97% |
4-hydroxy-3,5-dimethylbenzaldehyde
methyl iodide
3,5-dimethyl-4-methoxybenzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 20℃; for 12h; | 96% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; | 95% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; | 95% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; | 61% |
With potassium carbonate In acetone for 96h; Inert atmosphere; Reflux; |
[1,3]-dioxolan-2-one
4-hydroxy-3,5-dimethylbenzaldehyde
4-(2-hydroxy ethoxy)-3,5-dimethyl benzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 110℃; | 96% |
With potassium carbonate In N,N-dimethyl-formamide at 110℃; Inert atmosphere; | 78.8% |
4-hydroxy-3,5-dimethylbenzaldehyde
2-chloro-ethanol
4-(2-hydroxy ethoxy)-3,5-dimethyl benzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In ethanol for 24h; Heating / reflux; | 95% |
With potassium carbonate In ethanol for 24h; Reflux; | 95% |
With potassium carbonate In ethanol for 24h; | 95% |
2,4-dichlorothieno[3,2-d]pyrimidine
4-hydroxy-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
Stage #1: 4-hydroxy-3,5-dimethylbenzaldehyde With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: 2,4-dichlorothieno[3,2-d]pyrimidine In N,N-dimethyl-formamide at 20℃; for 1h; | 95% |
Stage #1: 4-hydroxy-3,5-dimethylbenzaldehyde With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: 2,4-dichlorothieno[3,2-d]pyrimidine In N,N-dimethyl-formamide at 20℃; for 1h; | 95% |
Stage #1: 2,4-dichlorothieno[3,2-d]pyrimidine With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; Stage #2: 4-hydroxy-3,5-dimethylbenzaldehyde In N,N-dimethyl-formamide for 1.5h; | 91.3% |
Stage #1: 4-hydroxy-3,5-dimethylbenzaldehyde With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; Stage #2: 2,4-dichlorothieno[3,2-d]pyrimidine In N,N-dimethyl-formamide at 25℃; for 1.5h; | 90% |
4-hydroxy-3,5-dimethylbenzaldehyde
2-(2-(2-methoxyethoxy)ethoxy)ethyl p-toluenesulfonate
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 100℃; for 12h; | 94.9% |
With potassium carbonate In N,N-dimethyl-formamide | |
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 100℃; for 12h; | |
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 100℃; for 12h; |
4-hydroxy-3,5-dimethylbenzaldehyde
2-nitrophenylmethyl bromide
4-(2'-nitrobenzyloxy)-3,5-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 3.5h; Etherification; alkylation; | 94% |
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 20℃; for 2h; | 88% |
With potassium hydride In DMF (N,N-dimethyl-formamide) at -23℃; |
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In ethyl acetate at 70℃; for 5h; | 94% |
4-hydroxy-3,5-dimethylbenzaldehyde
5,6-dimethoxybenzo[b]thiophen-3(2H)-one
Conditions | Yield |
---|---|
With piperidine In toluene at 80℃; for 2h; Schlenk technique; Molecular sieve; Inert atmosphere; | 94% |
4-hydroxy-3,5-dimethylbenzaldehyde
2-amino-4-bromobenzamide
Conditions | Yield |
---|---|
With iodine In ethanol for 4h; Inert atmosphere; Reflux; | 94% |
The 3,5-Dimethyl-4-hydroxybenzaldehyde, with the CAS registry number 2233-18-3, has the IUPAC name of 4-hydroxy-3,5-dimethylbenzaldehyde. For being a kind of tan to light brown crystalline powder, it is sensitive to air, and its product categories are including Alcohols and Derivatives; Carbonyl Compounds; Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het; Benzaldehyde; API intermediates; Phenyls & Phenyl-Het.
The characteristics of this chemical are as below: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 33.66; (6)ACD/BCF (pH 7.4): 31.14; (7)ACD/KOC (pH 5.5): 431.16; (8)ACD/KOC (pH 7.4): 398.78; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 44.53 cm3; (15)Molar Volume: 132 cm3; (16)Polarizability: 17.65×10-24 cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.136 g/cm3; (19)Flash Point: 109.7 °C; (20)Enthalpy of Vaporization: 52.2 kJ/mol; (21)Boiling Point: 263.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00612 mmHg at 25°C; (23)Exact Mass: 150.06808; (24)MonoIsotopic Mass: 150.06808; (25)Topological Polar Surface Area: 37.3; (26)Heavy Atom Count: 11; (27)Complexity: 133; (28)Covalently-Bonded Unit Count: 1.
Production method of this chemical: 2,4,6-trimethyl-phenol could react to produce 3,5-Dimethyl-4-hydroxybenzaldehyde. This reaction could happen in the presence the reagent of ethyl nitrite and alcohol.
When you are dealing with this chemical, you should be cautious. This chemical is irritating to eyes, respiratory system and skin and may may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: CC1=CC(=CC(=C1O)C)C=O
(2)InChI: InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3
(3)InChIKey: UYGBSRJODQHNLQ-UHFFFAOYSA-N
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