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118-41-2

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118-41-2 Structure

Identification	More
[Name] Gallic acid trimethyl ether
[CAS] 118-41-2
[Synonyms] 3,4,5-TRIMETHOXYBENZOIC ACID AKOS 213-36 AKOS BBS-00003718 BENZOIC ACID, 3,4,5-TRIMETHOXY- GALLIC ACID TRIMETHYL ETHER RARECHEM AL BO 0043 TRIMETHYLGALLIC ACID 3,4,5-trimethoxy-benzoicaci Eudesmic acid Tri-O-methylgallic acid Veratric acid, 5-methoxy- 3,4,5-TRIMETHOXYLBENZOIC ACID 3,4,5-TrimethoxybenzoicAcid99% 1-Carboxy-3,4,5-trimethoxybenzene 3,4,5-Trimethoxybenzoesure 3,4,5-TRIMETHOXYBENZOIC ACID/GALLIC ACID TRIMETHYL ETHER Gallic acid trimethyl ether, Trimethylgallic acid
[EINECS(EC#)] 204-248-2
[Molecular Formula] C10H12O5
[MDL Number] MFCD00002501
[Molecular Weight] 212.2
[MOL File] 118-41-2.mol

Chemical Properties	Back Directory
[Appearance] WHITE TO BEIGE FINE CRYSTALLINE POWDER
[Melting point ] 168-171 °C (lit.)
[Boiling point ] 225-227 °C/10 mmHg (lit.)
[density ] 1.3006 (rough estimate)
[refractive index ] 1.5140 (estimate)
[Fp ] 225-226°C/10mm
[storage temp. ] Sealed in dry,Room Temperature
[solubility ] Chloroform (Slightly), Methanol (Slightly)
[form ] Liquid
[pka] 4.23±0.10(Predicted)
[color ] Clear colorless to yellow
[Water Solubility ] SLIGHTLY SOLUBLE
[BRN ] 884655
[Henry's Law Constant] 7.3×10⁵ mol/(m³Pa) at 25℃, Abraham and Jr. (2019)
[InChI] 1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
[InChIKey] SJSOFNCYXJUNBT-UHFFFAOYSA-N
[SMILES] COc1cc(cc(OC)c1OC)C(O)=O
[LogP] 1.900 (est)
[CAS DataBase Reference] 118-41-2(CAS DataBase Reference)
[NIST Chemistry Reference] Benzoic acid, 3,4,5-trimethoxy-(118-41-2)
[EPA Substance Registry System] 118-41-2(EPA Substance)

Questions And Answer	Back Directory
[Description] 3,4,5-Trimethoxybenzoic acid is an important fine chemical product or pharmaceutical intermediate, which is widely used in the fields of medicine, dye, food and fine chemical industry.
[Synthesis] 3,4,5-trimethoxybenzoic acid can be synthesised by methoxylation of gallic acid and dimethyl sulfate, and the fine product is obtained after neutralization, filtration and washing.

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ] Xi,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
[Hazard Note ] Irritant
[TSCA ] Yes
[REACH Registrations] Active
[HS Code ] 29189090
[Storage Class] 11 - Combustible Solids

Raw materials And Preparation Products	Back Directory
[Raw materials] Tannic acid-->3,4,5-trimethoxyphenyl acetate-->3,4,5-trimethoxyphenyl trifluoromethanesulfonate-->3,4,5-Trimethoxyphenylboronic acid-->carbon monoxide-->3,4,5-Trimethoxyphenylmethyl carbinol-->3,4,5-Trimethoxybenzaldehyde oxime-->Dimethyl sulfate-->3',4',5'-Trimethoxyacetophenone-->Dimethyl carbonate-->3,4,5-Trimethoxybenzaldehyde-->3,4,5-Trimethoxybenzyl alcohol-->Gallic acid
[Preparation Products] Methyl 3,4,5-trimethoxybenzoate-->2,3-Dimethoxy-5-methyl-p-benzoquinone-->SINENSETIN-->3,4,5-Trimethoxyaniline-->5-Bromomethyl-1,2,3-trimethoxy-benzene-->Trimethobenzamide

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] Gallic acid trimethyl ether(118-41-2).msds

Hazard Information	Back Directory
[Physical properties] 3,4,5-Trimethoxy benzoic acid is a white to beige fine crystalline powder.
[Uses] 3,4,5-Trimethoxybenzoic acid is used as intermediates in medicine and organic synthesis. It acts as a metabolite of trimebutine. It is widely used in making dyes and inks, photographic developers and used as astringents in medically.
[Uses] A metabolite of Trimebutine (T795605).
[Definition] ChEBI: A benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents.
[Biological Activity] Research found that 3,4,5-Trimethoxy benzoic acid showed strong antioxidative activity in DPPH free radical scavenging assay^[1].
[target] TNF-α
[References] [1] Wang, Y. C., Wang, H. M. D., Liu, S. L., Chen, C. Y. (2024). Metabolites from Smilax nantoensis with Antioxidant Activity. Chemistry of Natural Compounds, 60 2, 320–323. https://doi.org/10.1007/s10600-024-04314-6

Spectrum Detail	Back Directory
[Spectrum Detail] 3,4,5-Trimethoxy benzoic acid(118-41-2)MS 3,4,5-Trimethoxy benzoic acid(118-41-2)¹HNMR 3,4,5-Trimethoxy benzoic acid(118-41-2)¹³CNMR 3,4,5-Trimethoxy benzoic acid(118-41-2)IR1 3,4,5-Trimethoxy benzoic acid(118-41-2)IR2 3,4,5-Trimethoxy benzoic acid(118-41-2)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 3,4,5-Trimethoxybenzoic acid, 99%(118-41-2)
[Alfa Aesar] 3,4,5-Trimethoxybenzoic acid, 99+%(118-41-2)
[Sigma Aldrich] 118-41-2(sigmaaldrich)
[TCI AMERICA] 3,4,5-Trimethoxybenzoic Acid,>97.0%(GC)(T)(118-41-2)

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