4-Isobutylbenzoicacid
4-Isobutylbenzoicacid structure
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Common Name | 4-Isobutylbenzoicacid | ||
|---|---|---|---|---|
| CAS Number | 38861-88-0 | Molecular Weight | 178.228 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 293.1±19.0 °C at 760 mmHg | |
| Molecular Formula | C11H14O2 | Melting Point | 144°C | |
| MSDS | N/A | Flash Point | 138.8±16.2 °C | |
Use of 4-Isobutylbenzoicacid4-Isobutylbenzoic acid is an intermediate in the synthesis of compounds[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Isobutylbenzoic Acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4-Isobutylbenzoic acid is an intermediate in the synthesis of compounds[1]. |
|---|---|
| Related Catalog | |
| References |
[1]. V. Beghetto, et al. Synthesis of 4-Isobutylbenzaldehyde an Important |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 293.1±19.0 °C at 760 mmHg |
| Melting Point | 144°C |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.228 |
| Flash Point | 138.8±16.2 °C |
| Exact Mass | 178.099380 |
| PSA | 37.30000 |
| LogP | 3.77 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.530 |
| InChIKey | VUBBCFWWSKOHTH-UHFFFAOYSA-N |
| SMILES | CC(C)Cc1ccc(C(=O)O)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| RTECS | DH3073800 |
| HS Code | 2916399090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 6 | |
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CAS#:38792-88-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00191658 |
| 4-Isobutylbenzoic acid |
| 4-Isobutylbenzoicacid |
| 4-(2-methylpropyl)benzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 4-Isobutylbenzoic Acid? |
| A: SMILES notation of 4-Isobutylbenzoic Acid is CC(C)Cc1ccc(C(=O)O)cc1. |
| Q: What is the polar surface area (PSA) of 4-Isobutylbenzoic Acid? |
| A: Polar surface area (PSA) of 4-Isobutylbenzoic Acid is 37.30000. |
| Q: What English synonyms does 4-Isobutylbenzoic Acid have? |
| A: English synonyms of 4-Isobutylbenzoic Acid: MFCD00191658, 4-Isobutylbenzoic acid, 4-Isobutylbenzoicacid, 4-(2-methylpropyl)benzoic acid. |
| Q: What is the boiling point of 4-Isobutylbenzoic Acid? |
| A: Boiling point of 4-Isobutylbenzoic Acid is 293.1±19.0 °C at 760 mmHg. |
| Q: What is the molecular formula of 4-Isobutylbenzoic Acid? |
| A: Molecular formula of 4-Isobutylbenzoic Acid is C11H14O2. |
| Q: What is the InChIKey of 4-Isobutylbenzoic Acid? |
| A: InChIKey of 4-Isobutylbenzoic Acid is VUBBCFWWSKOHTH-UHFFFAOYSA-N. |
| Q: What is the LogP of 4-Isobutylbenzoic Acid? |
| A: LogP of 4-Isobutylbenzoic Acid is 3.77. |
| Q: What is the CAS number of 4-Isobutylbenzoic Acid? |
| A: CAS number of 4-Isobutylbenzoic Acid is 38861-88-0. |
| Q: What is the English name of 4-Isobutylbenzoic Acid? |
| A: The English name of 4-Isobutylbenzoic Acid is 4-Isobutylbenzoic Acid. |
| Q: What is the molecular weight of 4-Isobutylbenzoic Acid? |
| A: Molecular weight of 4-Isobutylbenzoic Acid is 178.228. |
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. |