Elemicin
Elemicin structure
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Common Name | Elemicin | ||
|---|---|---|---|---|
| CAS Number | 487-11-6 | Molecular Weight | 208.25400 | |
| Density | 1.011 g/cm3 | Boiling Point | 279.8ºC at 760 mmHg | |
| Molecular Formula | C12H16O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 92.6ºC | |
Use of ElemicinElemicin is a alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin is one of the main components in aromatic food and has antimicrobial, antioxidant, and antiviral activities. Elemicin possesses genotoxicity and carcinogenicity[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Allyl-1,2,3-trimethoxybenzene |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Elemicin is a alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin is one of the main components in aromatic food and has antimicrobial, antioxidant, and antiviral activities. Elemicin possesses genotoxicity and carcinogenicity[1]. |
|---|---|
| Related Catalog | |
| Target |
SCD1[1] |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.011 g/cm3 |
|---|---|
| Boiling Point | 279.8ºC at 760 mmHg |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.25400 |
| Flash Point | 92.6ºC |
| Exact Mass | 208.11000 |
| PSA | 27.69000 |
| LogP | 2.44090 |
| Vapour Pressure | 0.00666mmHg at 25°C |
| Index of Refraction | 1.496 |
| InChIKey | BPLQKQKXWHCZSS-UHFFFAOYSA-N |
| SMILES | C=CCc1cc(OC)c(OC)c(OC)c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: Elemicin Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Elemicin CAS number:487-11-6 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C12H16O3 Molecular weight:208.3 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:591-87-7
CAS#:2675-79-8
CAS#:6627-88-9
CAS#:74-88-4
CAS#:106-95-6
CAS#:182163-96-8
CAS#:4055-72-5
CAS#:77-78-1
CAS#:72824-04-5
CAS#:91-10-1
CAS#:951-82-6
CAS#:5320-31-0
CAS#:86-81-7
CAS#:78660-19-2
CAS#:70280-34-1
CAS#:13338-63-1
CAS#:118-41-2
CAS#:54-04-6
CAS#:41395-10-2This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,2,3-trimethoxy-5-prop-2-enylbenzene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 5-Allyl-1,2,3-trimethoxybenzene? |
| A: Polar surface area (PSA) of 5-Allyl-1,2,3-trimethoxybenzene is 27.69000. |
| Q: What is the molecular weight of 5-Allyl-1,2,3-trimethoxybenzene? |
| A: Molecular weight of 5-Allyl-1,2,3-trimethoxybenzene is 208.25400. |
| Q: What is the SMILES notation of 5-Allyl-1,2,3-trimethoxybenzene? |
| A: SMILES notation of 5-Allyl-1,2,3-trimethoxybenzene is C=CCc1cc(OC)c(OC)c(OC)c1. |
| Q: What is the CAS number of 5-Allyl-1,2,3-trimethoxybenzene? |
| A: CAS number of 5-Allyl-1,2,3-trimethoxybenzene is 487-11-6. |
| Q: What is the molecular formula of 5-Allyl-1,2,3-trimethoxybenzene? |
| A: Molecular formula of 5-Allyl-1,2,3-trimethoxybenzene is C12H16O3. |
| Q: What is the InChIKey of 5-Allyl-1,2,3-trimethoxybenzene? |
| A: InChIKey of 5-Allyl-1,2,3-trimethoxybenzene is BPLQKQKXWHCZSS-UHFFFAOYSA-N. |
| Q: What are the uses of 5-Allyl-1,2,3-trimethoxybenzene? |
| A: Main uses of 5-Allyl-1,2,3-trimethoxybenzene: Elemicin is a alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin is one of the main components in aromatic food and has antimicrobial, antioxidant, and antiviral activities. Elemicin possesses genotoxicity and carcinogenicity[1]. |
| Q: What are the upstream materials of 5-Allyl-1,2,3-trimethoxybenzene? |
| A: Related upstream materials(CAS) of 5-Allyl-1,2,3-trimethoxybenzene: 591-87-7;2675-79-8;6627-88-9;74-88-4;106-95-6;182163-96-8;4055-72-5;77-78-1;72824-04-5;91-10-1. |
| Q: What is the boiling point of 5-Allyl-1,2,3-trimethoxybenzene? |
| A: Boiling point of 5-Allyl-1,2,3-trimethoxybenzene is 279.8ºC at 760 mmHg. |
| Q: What are the downstream products of 5-Allyl-1,2,3-trimethoxybenzene? |
| A: Related downstream products(CAS) of 5-Allyl-1,2,3-trimethoxybenzene: 951-82-6;5320-31-0;86-81-7;6627-88-9;78660-19-2;70280-34-1;13338-63-1;118-41-2;54-04-6;41395-10-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| naturewill |
| Henan Tianfu Chemical Co., Ltd. |