CAS Number1821-12-1
Synonyms4-Phenylbutyric acid; Butyric acid,4-phenyl; Benzenebutanoic acid; EINECS 217-341-8; 4-phenylbutyrate; 1-Phenylbutyric acid; 4-Phenyl-butyric acid; g-phenyl-Butyric acid; 4-Phenylbutanoic acid; g-Phenylbutyric acid; Benzenebutyric acid; 4-Phenyl-n-butyric acid; gama-Phenylbutyric acid; g-Phenylbutanoic acid; w-Phenylbutanoic acid; MFCD00004403; γ-Phenylbutanoic acid; 4-PHENYL-BUTANOIC ACID
Molecular FormulaC6H5(CH2)3COOH
Molecular Weight164.20
Purity99%
Density1.1±0.1 g/cm3
Boiling Point165 °C/10 mmHg (lit.)
Melting Point49-51 °C (lit.)
Appearancecrystals
EINECS217-341-8
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1821-12-1 |
| Catalog No. | 2A-9027520 |
| Chinese Name | 4-苯基丁酸 |
| Synonyms | 4-Phenylbutyric acid; Butyric acid,4-phenyl; Benzenebutanoic acid; EINECS 217-341-8; 4-phenylbutyrate; 1-Phenylbutyric acid; 4-Phenyl-butyric acid; g-phenyl-Butyric acid; 4-Phenylbutanoic acid; g-Phenylbutyric acid; Benzenebutyric acid; 4-Phenyl-n-butyric acid; gama-Phenylbutyric acid; g-Phenylbutanoic acid; w-Phenylbutanoic acid; MFCD00004403; γ-Phenylbutanoic acid; 4-PHENYL-BUTANOIC ACID |
| Molecular Formula | C6H5(CH2)3COOH |
| Molecular Weight | 164.20 |
| Purity | 99 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 165 °C/10 mmHg (lit.) |
| Melting Point | 49-51 °C (lit.) |
| Appearance | crystals |
| Water Solubility | 5.3 g/L at 40 ºC |
| Storage Condition | Store sealed in a cool, dry place; away from oxida |
| Application | Benzenebutyric acid is a histone deacetylase (HDAC) and endoplasmic reticulum stress (ER) inhibitor that can be used to study diseases such as cancer and infection. |
| EINECS | 217-341-8 |
| HTC | 29163900 |
| PubChem ID | 24898272 |
| MDL Number | MFCD00004403 |
| SMILES | OC(=O)CCCc1ccccc1 |
| InChI | 1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) |
| InChI Key | OBKXEAXTFZPCHS-UHFFFAOYSA-N |
| Beilstein/REAXYS | 638180 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/27520_1_1821_12_1.pdf |
| Bioactivity | Chemical & Physical Properties |
| Use of | Benzenebutyric acid is an inhibitor of HDAC and endoplasmic reticulum (ER) stress, used in cancer and infection research. Properties Articles68 Biological Activity Chemical & Physical Properties |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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