Benzoic acid,1,1-dimethylethyl ester
Benzoic acid,1,1-dimethylethyl ester structure
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Common Name | Benzoic acid,1,1-dimethylethyl ester | ||
|---|---|---|---|---|
| CAS Number | 774-65-2 | Molecular Weight | 178.22800 | |
| Density | 1 g/cm3 | Boiling Point | 54ºC / 1mmHg | |
| Molecular Formula | C11H14O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 100.4ºC | |
Summary: tert-Butyl benzoate (Chinese name: 叔丁基苯甲酸, CAS number: 774-65-2, molecular formula: C11H14O2, molecular weight: 178.22800) is 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 | tert-butyl benzoate |
|---|---|
| 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 g/cm3 |
|---|---|
| Boiling Point | 54ºC / 1mmHg |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.22800 |
| Flash Point | 100.4ºC |
| Exact Mass | 178.09900 |
| PSA | 26.30000 |
| LogP | 2.64190 |
| Index of Refraction | 1.498 |
| InChIKey | LYDRKKWPKKEMNZ-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)c1ccccc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | S24/25 |
|---|---|
| HS Code | 2916310090 |
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 9 | |
CAS#:3459-80-1
CAS#:98-88-4
CAS#:75-65-0
CAS#:100-52-7
CAS#:93-58-3
CAS#:540-88-5
CAS#:120363-13-5
CAS#:110349-26-3
CAS#:110-05-4
CAS#:591-50-4
CAS#:10547-61-2
CAS#:5545-52-8
CAS#:94-50-8
CAS#:4044-60-4
CAS#:19756-72-0
CAS#:58656-99-8
CAS#:7338-94-5
CAS#:611-94-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916310090 |
|---|---|
| Summary | 2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Trimethylcarbinol benzoate |
| EINECS 212-267-2 |
| 1,1-Dimethylethyl benzoate |
| Benzoic acid tert-butyl ester |
| MFCD00048244 |
| benzoic acid t-butyl ester |
| Benzoic acid 1,1-dimethylethyl ester |
| tert.-Butyl benzoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for tert-butyl benzoate? |
| A: Safety information for tert-butyl benzoate: S24/25. |
| Q: What are the upstream materials of tert-butyl benzoate? |
| A: Related upstream materials(CAS) of tert-butyl benzoate: 3459-80-1;98-88-4;75-65-0;100-52-7;93-58-3;540-88-5;120363-13-5;110349-26-3;110-05-4;591-50-4. |
| Q: What is the polar surface area (PSA) of tert-butyl benzoate? |
| A: Polar surface area (PSA) of tert-butyl benzoate is 26.30000. |
| Q: What are the downstream products of tert-butyl benzoate? |
| A: Related downstream products(CAS) of tert-butyl benzoate: 10547-61-2;5545-52-8;94-50-8;75-65-0;4044-60-4;19756-72-0;58656-99-8;7338-94-5;611-94-9. |
| Q: What is the molecular weight of tert-butyl benzoate? |
| A: Molecular weight of tert-butyl benzoate is 178.22800. |
| Q: What is the boiling point of tert-butyl benzoate? |
| A: Boiling point of tert-butyl benzoate is 54ºC / 1mmHg. |
| Q: What is the CAS number of tert-butyl benzoate? |
| A: CAS number of tert-butyl benzoate is 774-65-2. |
| Q: What English synonyms does tert-butyl benzoate have? |
| A: English synonyms of tert-butyl benzoate: Trimethylcarbinol benzoate, EINECS 212-267-2, 1,1-Dimethylethyl benzoate, Benzoic acid tert-butyl ester, MFCD00048244, benzoic acid t-butyl ester, Benzoic acid 1,1-dimethylethyl ester, tert.-Butyl benzoate. |
| Q: What is the English name of tert-butyl benzoate? |
| A: The English name of tert-butyl benzoate is tert-butyl benzoate. |
| Q: What is the molecular formula of tert-butyl benzoate? |
| A: Molecular formula of tert-butyl benzoate is C11H14O2. |
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. |