Methyl gallate

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Names

[ CAS No. ]:
99-24-1

[ Name ]:
Methyl gallate

[Synonym ]:
Methyl gallate
MFCD00002194
3,4,5-Trihydroxybenzoic acid methyl ester
Benzoic acid, 3,4,5-trihydroxy-, methyl ester
Methyl 3,4,5-trihydroxybenzoate
EINECS 202-741-7

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
450.1±40.0 °C at 760 mmHg

[ Melting Point ]:
201-204 °C

[ Molecular Formula ]:
C8H8O5

[ Molecular Weight ]:
184.146

[ Flash Point ]:
190.8±20.8 °C

[ Exact Mass ]:
184.037170

[ PSA ]:
86.99000

[ LogP ]:
1.54

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.631

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
SOLUBLE IN HOT WATER

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LW8000000
CHEMICAL NAME :
Gallic acid, methyl ester
CAS REGISTRY NUMBER :
99-24-1
BEILSTEIN REFERENCE NO. :
2113180
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H8-O5
MOLECULAR WEIGHT :
184.16
WISWESSER LINE NOTATION :
QVR CQ DQ EQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),286,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
784 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),286,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
470 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),286,1982

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H317-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R22;R36/37/38;R43

[ Safety Phrases ]:
S26-S36/37

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
LW8000000

[ HS Code ]:
2918290000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methanol
  • Gallic acid
  • Dimethyl sulfate
  • methyl 6-O-galloyl-α-D-glucopyranoside
  • Acetyl chloride
  • methyl iodide
  • 3,4,5-trihydroxybenzoyl chloride
  • Hydrochloric acid
  • Sulfuric acid

DownStream

  • (Z)-2-Methoxy-5-(2-(7-Methoxy-Benzo[D][1,3]Dioxol-5-Yl)Vinyl)Phenol
  • 3,4-Dihydroxy-5-methoxybenzoic acid
  • Methyl 3,4-dihydroxy-5-methoxybenzoate
  • N-Desmethyl Galanthamine
  • 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid
  • methyl 3,4-dihydroxy-5-propan-2-yloxybenzoate
  • 3,4,5-tris(phenylmethoxy)benzoyl chloride
  • methyl 7-phenylmethoxy-1,3-benzodioxole-5-carboxylate
  • Bergenin
  • methyl 3,4,5-trihexoxybenzoate

Customs

[ HS Code ]: 2918290000

[ Summary ]:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

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Related Compounds

  • methyl gallate
  • 4-O-methyl gallate
  • methyl gallate triacetate
  • Methyl 3-O-methyl gallate
  • (4'-O-methyl)methyl gallate
  • (-)-epigallocatechin 3-(4''-o-methyl)gallate
  • 5-Bromo-4-fluoro-2-nitrobenzene-1-sulfonyl fluoride
  • 2-Fluoro-5-(fluorosulfonyl)-3-methylbenzoic acid
  • 2,5-Dibromo-4-methylbenzene-1-sulfonyl fluoride
  • 3-(Benzyloxy)propane-1-sulfonyl fluoride
  • [4-(Methylcarbamoyl)phenyl]methanesulfonyl fluoride
  • 3-(Morpholin-4-yl)propane-1-sulfonyl fluoride
  • Allyl methyl sulfoxide
  • 5-Methoxypyridine-3-sulfonyl fluoride
  • 1-Bromo-3-methoxy-2,4-dimethylbenzene
  • Methyl 2-(fluorosulfonyl)-4-nitrobenzoate
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