Trimethylgallic acid methyl ester

Names

[ CAS No. ]:
1916-07-0

[ Name ]:
Trimethylgallic acid methyl ester

[Synonym ]:
3,4,5-Trimethoxybenzoic Acid Methyl Ester
methyl trimethoxybenzoate
Trimethylgallic acid methyl ester
Methyl 3,4,5-trimethoxy benzoate
BENZOIC ACID,3,4,5-TRIMETHOXY-,METHYL ESTER
Benzoic acid, 3,4,5-trimethoxy-, methyl ester
EINECS 217-629-3
Methyl 3,4,5-trimethoxybenzoate
methyl tri-O-methylgallate
MFCD00008431
3,4,5-O-trimethylgallic acid methyl ester

Biological Activity

[Description]:

Methyl 3,4,5-trimethoxybenzoate can be synthesized from Gallic acid. Methyl 3,4,5-trimethoxybenzoate is mainly used in the production of Trimethoprim (TMP), Sulfa synergistic intermediates, and many other agents.

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. Method for synthesizing methyl 3,4,5-trimethoxybenzoate from gallic acid. CN105732375A.

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
274.5±0.0 °C at 760 mmHg

[ Melting Point ]:
82-84 °C(lit.)

[ Molecular Formula ]:
C₁₁H₁₄O₅

[ Molecular Weight ]:
226.226

[ Flash Point ]:
115.2±18.2 °C

[ Exact Mass ]:
226.084122

[ PSA ]:
53.99000

[ LogP ]:
1.74

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.494

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI0820000

CHEMICAL NAME :: Benzoic acid, 3,4,5-trimethoxy-, methyl ester

CAS REGISTRY NUMBER :: 1916-07-0

BEILSTEIN REFERENCE NO. :: 2218156

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H14-O5

MOLECULAR WEIGHT :: 226.25

WISWESSER LINE NOTATION :: 1OVR CO1 DO1 EO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07253

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DI0820000

[ HS Code ]:
2918990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2918990090

[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%