Octanoic acid, 2-bromo-
2-bromooctanoate · Bromooctanoicacid · Boldine Impurity 10 · 2-BROMOCAPRYLIC ACID · A-BROMOCAPRYLIC ACID · 2-Bromooctanoic acid · Octanoic acid, 2-bromo- · 2-BROMO-N-OCTANOIC ACID
Identifiers & Physical Properties
| CAS No. | 2623-82-7 |
|---|---|
| Molecular formula | C8H15BrO2 |
| Average molar mass | 223.11 g/mol |
| Monoisotopic mass | 222.02554 g/mol |
| SMILES | CCCCCCC(Br)C(=O)O |
| InChIKey | GTGTXZRPJHDASG-UHFFFAOYSA-N |
| PubChem CID | 552003 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 6 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 115 |
| SpringerMaterials Properties | Optical coefficient |
| Boiling point | 140 °C5 mm Hg(lit.) |
| Density | 1.278 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.471(lit.) |
| Flash point | >230 °F |
| Storage conditions | Storage temp. 2-8°C |
| pKa (acidity coefficient) | 2.97±0.21(Predicted) |
| Physical state | clear liquid |
| Color | Colorless to Yellow |
| BRN | 1760958 |
| InChI | 1S/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11) |
| InChIKey | GTGTXZRPJHDASG-UHFFFAOYSA-N |
| SMILES | CCCCCCC(Br)C(O)=O |
| CAS DataBase Reference | 2623-82-7(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | UN 3265 8/PG 2 |
| Water hazard class (WGK) | 3 |
| F | 8-10 |
| Customs code | 2915.90.5050 |
| Hazard class | 8Skin Corr. 1B |
| Packing group | II |
| Storage class | 8A - Combustible corrosive hazardous materials |
Safety & Regulations
| F | 8-10 |
|---|---|
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3265 8/PG 2 |
| Customs code | 2915.90.5050 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 8Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
Applications & Uses
Uses
2-Bromooctanoic acid is an effective substitute for the expensive (2,000 times) and cell-growth-inhibiting polyhydroxyalkanoic acid synthesis inhibitor, cerulenin. It blocks the formation of polyhydroxyalkanoic acid in Pseudomonas fluorescens BM07 without any influence on the cell growth when grown on fructose. It inhibits β-oxidation of fatty acids in perfused rat liver and in mitochondria isolated from rat liver.
General Description
2-Bromooctanoic acid is an effective substitute for the expensive (2,000 times) and cell-growth-inhibiting polyhydroxyalkanoic acid synthesis inhibitor, cerulenin. It blocks the formation of polyhydroxyalkanoic acid in Pseudomonas fluorescens BM07 without any influence on the cell growth when grown on fructose. It inhibits β-oxidation of fatty acids in perfused rat liver and in mitochondria isolated from rat liver.