Trimethylgallic acid methyl ester

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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

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

  • Gallic acid
  • Dimethyl sulfate
  • Methanol
  • 3,4,5-Trimethoxybenzaldehyde
  • Trimethylgallic acid
  • Methyl gallate
  • methyl iodide
  • Methyl bromide
  • (3,4,5-Trimethoxyphenyl)methanol

DownStream

  • 2-(3,4,5-Trimethoxyphenyl)ethanol
  • Methyl 2-nitro-3,4,5-trimethoxybenzoate
  • Trimethylgalloyl chloride
  • 5-(Chloromethyl)-1,2,3-trimethoxybenzene
  • Methyl 2-amino-3,4,5-trimethoxybenzoate
  • 2,3,4-Trimethoxy-6-methylphenol
  • Ubiquinone Q0
  • 3,4,5-Trimethoxybenzohydrazide
  • Irisflorentin
  • 3,4,5-Trimethoxyphenylacetic acid

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%

Related Compounds

  • Acetyldithiocarbamic acid methyl ester
  • Acetylsalicylic acid methyl ester
  • Heneicosanoic Acid methyl ester
  • Morpholinecarboxylic acid methyl ester
  • Clerodermic acid methyl ester
  • Benzeneselenonic acid methyl ester
  • 4-(Bromomethyl)-1-methanesulfonylhexane
  • 3-Bromo-2-[2-(bromomethyl)butyl]thiophene
  • [4-(2-Nitro-phenylamino)-phenyl]-acetic acid methyl ester
  • 2-(4-iodo-1H-pyrazol-1-yl)-N-methylethan-1-amine
  • 5-tert-butyl-2-(4-dimethylaminomethyl-phenyl)-2H-pyrazol-3-ylamine
  • (2-Chloro-4-imidazo[4,5-b]pyridin-3-yl-phenyl)-acetic acid
  • [4-(3-Amino-pyridin-2-ylamino)-2-methyl-phenyl]-acetic acid methyl ester
  • 3-tert-butyl-1-(2-ethylphenyl)-1H-pyrazol-5-amine
  • 5-tert-butyl-2-(4-morpholin-4-ylmethyl-phenyl)-2H-pyrazol-3-ylamine
  • 3-Cyclopropyl-3-hydroxypentanoic acid
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