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118-41-2

Basic Information
CAS No.: 118-41-2
Name: 3,4,5-Trimethoxybenzoic acid
Article Data: 172
Cas Database
Molecular Structure:
Molecular Structure of 118-41-2 (3,4,5-Trimethoxybenzoic acid)
Formula: C10H12O5
Molecular Weight: 212.202
Synonyms: 3,4,5-trimethoxybenzoic acid;gallic acid trimethyl ether;3,4,5-TrimethoxyBenzoicAcid;3,4,5-trimethoxybenzoate;Tri-O-methylgallic acid;Eudesmic acid;Benzoic acid,3,4,5-trimethoxy-;Veratric acid, 5-methoxy-;Gallic acid trimethyl ether;Benzoic acid, 3,4,5-trimethoxy-;
EINECS: 204-248-2
Density: 1.219 g/cm3
Melting Point: 168-171 °C(lit.)
Boiling Point: 376.3 °C at 760 mmHg
Flash Point: 128.8 °C
Solubility: insoluble in water
Appearance: white to beige fine crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 64.99000
LogP: 1.41060
Synthetic route
86-81-7

3,4,5-trimethoxy-benzaldehyde

118-41-2

Eudesmic acid

Conditions
ConditionsYield
With copper acetylacetonate; oxygen; sodium hydroxide; 1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene In water at 50℃; under 760.051 Torr; for 12h; Sealed tube;99%
With tert.-butylhydroperoxide In water at 70℃; for 3h; Green chemistry;91%
With sodium chlorite In acetonitrile 1.) 10 deg C, 2 h, 2.) RT, 3 h;90%
3840-31-1

(3,4,5-trimethoxyphenyl)methanol

118-41-2

Eudesmic acid

Conditions
ConditionsYield
With dihydrogen peroxide In water; toluene at 20 - 85℃; for 4h;99%
With Cu(II)-complex of salen-H4; dihydrogen peroxide In acetonitrile at 80℃; for 2h;93%
With dihydrogen peroxide; oxygen; (2-OPhCH2NHCH2)2(2-)*Co(2+) In acetonitrile at 80℃; for 4h;80%
Stage #1: (3,4,5-trimethoxyphenyl)methanol With C27H29BrFIrN2O; potassium hydroxide In toluene for 4h; Inert atmosphere; Reflux;
Stage #2: With hydrogenchloride In water
72%

C19H32O5Si

118-41-2

Eudesmic acid

Conditions
ConditionsYield
With water; N,N-dimethyl-formamide at 70℃; for 6h; Green chemistry; chemoselective reaction;96%
119072-55-8, 7188-38-7

tert-butylisonitrile

182163-96-8

3,4,5-trimethoxyphenylboronic Acid

118-41-2

Eudesmic acid

Conditions
ConditionsYield
Stage #1: tert-butylisonitrile; 3,4,5-trimethoxyphenylboronic Acid With copper diacetate; palladium diacetate In N,N-dimethyl-formamide at 100℃; for 24h; Molecular sieve; Sealed tube;
Stage #2: With water In N,N-dimethyl-formamide Molecular sieve; Sealed tube;
96%
1916-07-0

3,4,5-trimethoxybenzoic acid methyl ester

118-41-2

Eudesmic acid

Conditions
ConditionsYield
Stage #1: 3,4,5-trimethoxybenzoic acid methyl ester With potassium hydroxide In ethanol; water for 3h; Reflux;
Stage #2: With sulfuric acid In water
95%
With potassium hydroxide In ethanol for 48h; Reflux;95.6%
With potassium hydroxide In ethanol for 48h; Reflux;95.6%
149-91-7

3,4,5-trihydroxybenzoic acid

616-38-6

carbonic acid dimethyl ester

118-41-2

Eudesmic acid

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20 - 120℃; Concentration; Inert atmosphere;95.6%
1136-86-3

methyl (3,4,5-trimethoxyphenyl) ketone

118-41-2

Eudesmic acid

Conditions
ConditionsYield
With Oxone; trifluoroacetic acid In 1,4-dioxane for 10h; Reflux; Green chemistry;95%
With Iron(III) nitrate nonahydrate; iodine; oxygen; dimethyl sulfoxide at 130℃; under 750.075 Torr; for 12h; Sealed tube; Green chemistry;81%
With Iron(III) nitrate nonahydrate; iodine; oxygen In dimethyl sulfoxide at 10℃; for 12h; Sealed tube;81%
With water; potassium hydroxide at 20℃; Electrolysis;

C26H30O5Si

118-41-2

Eudesmic acid

Conditions
ConditionsYield
With water; N,N-dimethyl-formamide at 70℃; for 6h; Green chemistry; chemoselective reaction;95%
201230-82-2

carbon monoxide

143287-98-3

3,4,5-trimethoxyphenyl trifluoromethanesulfonate

118-41-2

Eudesmic acid

Conditions
ConditionsYield
With potassium acetate; 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate In dimethyl sulfoxide at 60℃; for 3h;94%
39201-89-3

3,4,5-trimethoxybenzaldehyde oxime

118-41-2

Eudesmic acid

Conditions
ConditionsYield
With [hydroxy(tosyloxy)iodo]benzene; water In dimethyl sulfoxide at 20℃; for 24h;92%
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 50h; Heating;16%
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Chemistry

The Molecular Structure of 3,4,5-Trimethoxybenzoic acid (CAS NO.118-41-2):

Empirical Formula: C10H12O5
Molecular Weight: 212.1993 
IUPAC Name: 3,4,5-trimethoxybenzoic acid 
Appearance:  white to beige fine crystalline powder
Nominal Mass: 212 Da
Average Mass: 212.1993 Da
Monoisotopic Mass: 212.068473 Da 
Index of Refraction: 1.523
Molar Refractivity: 53.21 cm3
Molar Volume: 173.9 cm3
Surface Tension: 40.6 dyne/cm
Density: 1.219 g/cm3
Flash Point: 128.8 °C
Enthalpy of Vaporization: 65.81 kJ/mol
Boiling Point: 376.3 °C at 760 mmHg
Vapour Pressure: 2.49E-06 mmHg at 25°C 
InChI
InChI=1/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
Smiles
c1(c(cc(C(O)=O)cc1OC)OC)OC
Synonyms: AI3-21153 ; EINECS 204-248-2 ; Eudesmic acid ; Gallic acid trimethyl ether ; Tri-O-methylgallic acid ; Veratric acid, 5-methoxy- ; Benzoic acid, 3,4,5-trimethoxy-     

Uses

 3,4,5-Trimethoxybenzoic acid (CAS NO.118-41-2) can be used as  intermediates in medicine and organic synthesis.

Safety Profile

Safty inaformations about 3,4,5-Trimethoxybenzoic acid (CAS NO.118-41-2):
Hazard Codes  :IrritantXiHarmfulXn
Risk Statements  :
 R36/37/38:Irritating to eyes, respiratory system and skin
 R20/21/22 :Harmful by inhalation, in contact with skin and if swallowed
Safety Statements :
 S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
 S36 :Wear suitable protective clothing
WGK Germany : 1