Introduction：Basic information about CAS 4593-90-2|3-Phenylbutyric acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Phenylbutyric acid |
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| CAS Number | 4593-90-2 | Molecular Weight | 164.201 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 288.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C10H12O2 | Melting Point | 35-38 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 170.2±13.9 °C |
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Names
| Name | 3-phenylbutyric acid |
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| Synonym | More Synonyms |
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3-Phenylbutyric acid BiologicalActivity
| Description | 3-Phenylbutyric acid is metabolized by initial oxidation of the benzene ring and by initial oxidation of the side chain. 3-Phenylbutyric acid can be used to isolate Rhodococcus rhodochrous PB1 from compost soil[1][2]. |
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| Related Catalog | Research Areas >>Metabolic Disease |
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| References | [1]. Simoni S, et al. Enantioselective Metabolism of Chiral 3-Phenylbutyric Acid, an Intermediate of Linear Alkylbenzene Degradation, by Rhodococcus rhodochrous PB1. Appl Environ Microbiol. 1996 Mar;62(3):749-55. [2]. Sariaslani FS, et al. Degradation of 3-phenylbutyric acid by Pseudomonas sp. J Bacteriol. 1982 Oct;152(1):411-21. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 288.0±0.0 °C at 760 mmHg |
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| Melting Point | 35-38 °C(lit.) |
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| Molecular Formula | C10H12O2 |
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| Molecular Weight | 164.201 |
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| Flash Point | 170.2±13.9 °C |
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| Exact Mass | 164.083725 |
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| PSA | 37.30000 |
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| LogP | 2.19 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.531 |
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| InChIKey | ZZEWMYILWXCRHZ-UHFFFAOYSA-N |
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| SMILES | CC(CC(=O)O)c1ccccc1 |
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S22-S24/25 |
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| RIDADR | 1325 |
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| WGK Germany | 3 |
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| Packaging Group | III |
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| Hazard Class | 4.1 |
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| HS Code | 2916399090 |
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Customs
| HS Code | 2916399090 |
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| 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% |
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| Induction of histone acetylation and growth regulation in eryrthroleukemia cells by 4-phenylbutyrate and structural analogs. Anticancer Res. 19(3A) , 1971-6, (1999) The objective of this investigation was to study the relationship between histone acetylation and growth inhibition by 4-phenylbutyrate and structural analogs. Inhibition of growth of DS19 mouse eryth... | |
| Enantioselective Metabolism of Chiral 3-Phenylbutyric Acid, an Intermediate of Linear Alkylbenzene Degradation, by Rhodococcus rhodochrous PB1. Appl. Environ. Microbiol. 62(3) , 749-55, (1996) Rhodococcus rhodochrous PB1 was isolated from compost soil by selective culture with racemic 3-phenylbutyric acid as the sole carbon and energy source. Growth experiments with the single pure enantiom... | |
Synonyms
| b-Phenylbutyric acid |
| 3-Phenylbutyric acid |
| MFCD00002725 |
| (RS)-3-Phenylbutanoic acid |
| (/-)-3-phenylbutyric acid |
| Benzenepropanoic acid, β-methyl- |
| EINECS 224-987-4 |
| RARECHEM AL BE 0683 |
| b-Phenyl-n-butyric acid |
| β-Phenyl-n-butyric acid |
| β-Methylbenzenepropanoic acid |
| 3-phenylbutyrate |
| 3-Phenylbutanoic acid |
| b-methyl benzenepropanoic acid |
| b-Methylbenzenepropanoic acid |
| 3-S-phenyl-1-butanoic acid |
