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
(Z)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid
(2S,4R)-Methyl 4-methoxypyrrolidine-2-carboxylate
6-(4-Methoxybenzylamino)hexanoic acid ethyl ester
17(S)-HDoTE
2-(Allylthio)-5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazole
Methyl ({5-[4-(methylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
2-(Cinnamylthio)-5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazole
2-(4-(Azepan-1-ylsulfonyl)phenyl)-5-(methylthio)-1,3,4-oxadiazole
({5-[4-(Azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetic acid
2-methoxy-N-(4-(phenylsulfonyl)phenyl)-5-(pyrrolidin-1-ylsulfonyl)benzamide

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