Introduction：Basic information about CAS 64291-41-4|acetagastrodine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | acetagastrodine |
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| CAS Number | 64291-41-4 | Molecular Weight | 454.424 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 551.4±50.0 °C at 760 mmHg |
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| Molecular Formula | C21H26O11 | Melting Point | / |
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| MSDS | / | Flash Point | 184.0±23.6 °C |
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Names
| Name | 4-(Hydroxymethyl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid e |
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| Synonym | More Synonyms |
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acetagastrodine BiologicalActivity
| Description | Acetagastrodin (compound 4) is an intermediate for the synthesis of DBPG (an antioxidant from Origanum vulgare)[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Li YW, et, al. First and efficient synthesis of 4-(3,4-dihydroxybenzoyl-oxymethyl)-phenyl-O-β-D-glucopyranoside, an antioxidant from Origanum vulgare. Journal of the Serbian Chemical Society. 2015 Jan; 81(00):74-74. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 551.4±50.0 °C at 760 mmHg |
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| Molecular Formula | C21H26O11 |
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| Molecular Weight | 454.424 |
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| Flash Point | 184.0±23.6 °C |
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| Exact Mass | 454.147522 |
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| PSA | 143.89000 |
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| LogP | 1.74 |
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| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
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| Index of Refraction | 1.538 |
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| InChIKey | HGUDVDQXCUHOED-YMQHIKHWSA-N |
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| SMILES | CC(=O)OCC1OC(Oc2ccc(CO)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
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| Storage condition | 2-8C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- LZ5901800
- CHEMICAL NAME :
- beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, 2,3,4,6-tetro-O-acetate
- CAS REGISTRY NUMBER :
- 64291-41-4
- LAST UPDATED :
- 199503
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C21-H26-O11
- MOLECULAR WEIGHT :
- 454.47
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >18 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ZYZAEU Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. China) V.24- 1989- Volume(issue)/page/year: 24,244,1989
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Synonyms
| 4-Cyanobenzyl alcohol |
| p-hydroxymethylbenzonitrile |
| 4-hydroxymethylbenzenecarbonitrile |
| p-cyanobenzyl alcohol |
| 4-(Hydroxymethyl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside |
| β-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, tetraacetate |
