tert-butyl 2-(4-formylphenoxy)acetate
tert-butyl 2-(4-formylphenoxy)acetate structure
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Common Name | tert-butyl 2-(4-formylphenoxy)acetate | ||
|---|---|---|---|---|
| CAS Number | 276884-77-6 | Molecular Weight | 236.26400 | |
| Density | 1.118±0.06 g/cm3(Predicted) | Boiling Point | 344.0±17.0 °C(Predicted) | |
| Molecular Formula | C13H16O4 | Melting Point | 56-57 °C | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | tert-butyl 2-(4-formylphenoxy)acetate |
|---|---|
| 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 | 1.118±0.06 g/cm3(Predicted) |
|---|---|
| Boiling Point | 344.0±17.0 °C(Predicted) |
| Melting Point | 56-57 °C |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.26400 |
| Exact Mass | 236.10500 |
| PSA | 52.60000 |
| LogP | 2.21960 |
| InChIKey | TZONEPGXYVZUKR-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)COc1ccc(C=O)cc1 |
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: tert-Butyl 2-(4-formylphenoxy)acetate Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:tert-Butyl 2-(4-formylphenoxy)acetate CAS number:276884-77-6 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:C13H16O4 Molecular weight:236.3 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 covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918990090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
tert-butyl 2-(4... CAS#:276884-77-6 |
| Literature: AVENTIS PHARMA DEUTSCHLAND GMBH Patent: US2005/4111 A1, 2005 ; Location in patent: Page/Page column 8 ; US 20050004111 A1 |
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~53%
tert-butyl 2-(4... CAS#:276884-77-6 |
| Literature: Honshu Chemical Industry Co., Ltd. Patent: US6603029 B1, 2003 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 2 | |
![4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]benzoic acid structure](https://image.chemsrc.com/caspic/398/161948-80-7.png)
CAS#:161948-80-7
CAS#:22042-71-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
|---|---|
| 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% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-formylphenoxyacetic acid tert-butyl ester |
| 4-formylphenoxyacetic acid t-butyl ester |
| 4-t-butoxycarbonylmethoxybenzaldehyde |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of tert-butyl 2-(4-formylphenoxy)acetate? |
| A: Related upstream materials(CAS) of tert-butyl 2-(4-formylphenoxy)acetate: 5292-43-3;123-08-0;107-59-5. |
| Q: What is the melting point of tert-butyl 2-(4-formylphenoxy)acetate? |
| A: Melting point of tert-butyl 2-(4-formylphenoxy)acetate is 56-57 °C. |
| Q: What is the LogP of tert-butyl 2-(4-formylphenoxy)acetate? |
| A: LogP of tert-butyl 2-(4-formylphenoxy)acetate is 2.21960. |
| Q: What is the boiling point of tert-butyl 2-(4-formylphenoxy)acetate? |
| A: Boiling point of tert-butyl 2-(4-formylphenoxy)acetate is 344.0±17.0 °C(Predicted). |
| Q: What are the downstream products of tert-butyl 2-(4-formylphenoxy)acetate? |
| A: Related downstream products(CAS) of tert-butyl 2-(4-formylphenoxy)acetate: 161948-80-7;22042-71-3. |
| Q: What English synonyms does tert-butyl 2-(4-formylphenoxy)acetate have? |
| A: English synonyms of tert-butyl 2-(4-formylphenoxy)acetate: 4-formylphenoxyacetic acid tert-butyl ester, 4-formylphenoxyacetic acid t-butyl ester, 4-t-butoxycarbonylmethoxybenzaldehyde. |
| Q: What is the InChIKey of tert-butyl 2-(4-formylphenoxy)acetate? |
| A: InChIKey of tert-butyl 2-(4-formylphenoxy)acetate is TZONEPGXYVZUKR-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of tert-butyl 2-(4-formylphenoxy)acetate? |
| A: SMILES notation of tert-butyl 2-(4-formylphenoxy)acetate is CC(C)(C)OC(=O)COc1ccc(C=O)cc1. |
| Q: What is the English name of tert-butyl 2-(4-formylphenoxy)acetate? |
| A: The English name of tert-butyl 2-(4-formylphenoxy)acetate is tert-butyl 2-(4-formylphenoxy)acetate. |
| Q: What is the CAS number of tert-butyl 2-(4-formylphenoxy)acetate? |
| A: CAS number of tert-butyl 2-(4-formylphenoxy)acetate is 276884-77-6. |
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. |