Introduction：Basic information about CAS 86-81-7|3,4,5-Trimethoxybenzaldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,4,5-Trimethoxybenzaldehyde |
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| CAS Number | 86-81-7 | Molecular Weight | 196.200 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 311.4±37.0 °C at 760 mmHg |
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| Molecular Formula | C10H12O4 | Melting Point | 72-74 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 136.8±26.5 °C |
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Names
| Name | 3,4,5-Trimethoxybenzaldehyde |
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| Synonym | More Synonyms |
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3,4,5-Trimethoxybenzaldehyde BiologicalActivity
| Description | 3,4,5-Trimethoxybenzaldehyde is an intermediate for the synthesis of various pharmaceuticals, especially for trimethoprim used to treat bacterial infections, including urinary tract pathogens infection[1]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
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| References | [1]. Basanti LalHiran, et al. Oxidation of 3,4,5-trimethoxybenzaldehyde by pyridinium fluorochromate in N,N-dimethyl formamide medium: A kinetic and mechanistic study. Arabian Journal of Chemistry. Volume 9, Supplement 1, September 2016, Pages S440-S445 |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 311.4±37.0 °C at 760 mmHg |
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| Melting Point | 72-74 °C(lit.) |
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| Molecular Formula | C10H12O4 |
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| Molecular Weight | 196.200 |
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| Flash Point | 136.8±26.5 °C |
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| Exact Mass | 196.073563 |
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| PSA | 44.76000 |
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| LogP | 1.40 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.525 |
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| InChIKey | OPHQOIGEOHXOGX-UHFFFAOYSA-N |
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| SMILES | COc1cc(C=O)cc(OC)c1OC |
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| Storage condition | 2-8°C |
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| Water Solubility | slightly soluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CU8462000
- CHEMICAL NAME :
- Benzaldehyde, 3,4,5-trimethoxy-
- CAS REGISTRY NUMBER :
- 86-81-7
- BEILSTEIN REFERENCE NO. :
- 0395163
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H12-O4
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - wild bird species
- DOSE/DURATION :
- 422 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983
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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,C |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S22-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 | CU8462000 |
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| HS Code | 29124900 |
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Customs
| HS Code | 2912499000 |
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| Summary | 2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| 3,4,5-Trimethoxybenzaldehyde |
| tri-o-methylgallaldehyde |
| EINECS 201-701-6 |
| 3,4,5-tri-(OMe)-PhCHO |
| BENZALDEHYDE,3,4,5-TRIMETHOXY |
| 3,4,5-tri-MeO-C6H2CHO |
| 3,4,5-tri-OMe-C6H3CHO |
| 3,4,5-Trimethoxybenzolcarbaldehyd |
| Benzaldehyde, 3,4,5-trimethoxy- |
| 3,4,5-(OMe)3-C6H2CHO |
| 3,4,5-trimethoxy-benzaldehyde |
| MFCD00003364 |
