Introduction：Basic information about CAS 1916-07-0|Trimethylgallic acid methyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Trimethylgallic acid methyl ester |
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| CAS Number | 1916-07-0 | Molecular Weight | 226.226 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 274.5±0.0 °C at 760 mmHg |
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| Molecular Formula | C11H14O5 | Melting Point | 82-84 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 115.2±18.2 °C |
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Names
| Name | Methyl 3,4,5-trimethoxybenzoate |
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| Synonym | More Synonyms |
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Trimethylgallic acid methyl ester BiologicalActivity
| 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. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Method for synthesizing methyl 3,4,5-trimethoxybenzoate from gallic acid. CN105732375A. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 274.5±0.0 °C at 760 mmHg |
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| Melting Point | 82-84 °C(lit.) |
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| Molecular Formula | C11H14O5 |
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| Molecular Weight | 226.226 |
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| Flash Point | 115.2±18.2 °C |
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| Exact Mass | 226.084122 |
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| PSA | 53.99000 |
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| LogP | 1.74 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.494 |
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| InChIKey | KACHFMOHOPLTNX-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1cc(OC)c(OC)c(OC)c1 |
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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 DATAACUTE 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
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xi |
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| Safety Phrases | S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | DI0820000 |
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| HS Code | 2918990090 |
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Customs
| HS Code | 2918990090 |
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| 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% |
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Synonyms
| 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 |
