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Name	3,4,5-Trimethoxybenzoic acid	EINECS	204-248-2
CAS No.	118-41-2	Density	1.219 g/cm³
PSA	64.99000	LogP	1.41060
Solubility	insoluble in water	Melting Point	168-171 °C(lit.)
Formula	C₁₀H₁₂O₅	Boiling Point	376.3 °C at 760 mmHg
Molecular Weight	212.202	Flash Point	128.8 °C
Transport Information	N/A	Appearance	white to beige fine crystalline powder
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
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-;	Article Data	172

3,4,5-Trimethoxybenzoic acid Synthetic route

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 118-41-2
Eudesmic acid

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

3,4,5-Trimethoxybenzoic acid Chemical Properties

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-

3,4,5-Trimethoxybenzoic acid Uses

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

3,4,5-Trimethoxybenzoic acid Safety Profile

Safty inaformations about 3,4,5-Trimethoxybenzoic acid (CAS NO.118-41-2):
Hazard Codes : Irritant Xi Harmful Xn
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

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