1-Eth-1-ynyl-4-propoxybenzene
1-Eth-1-ynyl-4-propoxybenzene structure
|
Common Name | 1-Eth-1-ynyl-4-propoxybenzene | ||
|---|---|---|---|---|
| CAS Number | 39604-97-2 | Molecular Weight | 160.21200 | |
| Density | 0.98 g/cm3 | Boiling Point | 234.2ºC at 760 mmHg | |
| Molecular Formula | C11H12O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 1-Ethynyl-4-propoxybenzene, also known as 1-Eth-1-ynyl-4-propoxybenzene, has a CAS number of 39604-97-2, with a molecular formula of C11H12O and a molecular weight of 160.21200. The storage condition is 2-8℃, and the boiling point is 234.2℃. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-Ethynyl-4-propoxybenzene |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.98 g/cm3 |
|---|---|
| Boiling Point | 234.2ºC at 760 mmHg |
| Molecular Formula | C11H12O |
| Molecular Weight | 160.21200 |
| Exact Mass | 160.08900 |
| PSA | 9.23000 |
| LogP | 2.45670 |
| Index of Refraction | 1.518 |
| InChIKey | NMKZRVMAECEGMV-UHFFFAOYSA-N |
| SMILES | C#Cc1ccc(OCCC)cc1 |
| Storage condition | 2-8℃ |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:4-n-Propoxyphenylacetylen Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 39604-97-2: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless to yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C11H12O Molecular Weight: 160.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 39604-97-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Eth-1-ynyl-4-propoxybenzene - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 39604-97-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 39604-97-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 39604-97-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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 6 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2909309090 |
|---|---|
| Summary | 2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-n-Propoxyphenylacetylene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 1-Ethynyl-4-propoxybenzene have? |
| A: English synonyms of 1-Ethynyl-4-propoxybenzene: 4-n-Propoxyphenylacetylene. |
| Q: What is the molecular weight of 1-Ethynyl-4-propoxybenzene? |
| A: Molecular weight of 1-Ethynyl-4-propoxybenzene is 160.21200. |
| Q: What is the CAS number of 1-Ethynyl-4-propoxybenzene? |
| A: CAS number of 1-Ethynyl-4-propoxybenzene is 39604-97-2. |
| Q: What is the InChIKey of 1-Ethynyl-4-propoxybenzene? |
| A: InChIKey of 1-Ethynyl-4-propoxybenzene is NMKZRVMAECEGMV-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 1-Ethynyl-4-propoxybenzene? |
| A: SMILES notation of 1-Ethynyl-4-propoxybenzene is C#Cc1ccc(OCCC)cc1. |
| Q: What is the polar surface area (PSA) of 1-Ethynyl-4-propoxybenzene? |
| A: Polar surface area (PSA) of 1-Ethynyl-4-propoxybenzene is 9.23000. |
| Q: What are the upstream materials of 1-Ethynyl-4-propoxybenzene? |
| A: Related upstream materials(CAS) of 1-Ethynyl-4-propoxybenzene: 95306-91-5;95306-89-1;107-19-7;106-41-2;39969-56-7;540-38-5. |
| Q: What is the LogP of 1-Ethynyl-4-propoxybenzene? |
| A: LogP of 1-Ethynyl-4-propoxybenzene is 2.45670. |
| Q: What are the storage conditions for 1-Ethynyl-4-propoxybenzene? |
| A: Storage conditions for 1-Ethynyl-4-propoxybenzene: 2-8℃. |
| Q: What is the molecular formula of 1-Ethynyl-4-propoxybenzene? |
| A: Molecular formula of 1-Ethynyl-4-propoxybenzene is C11H12O. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |