2-Ethylbutyric acid - CAS 88-09-5
Catalog: |
BB038734 |
Product Name: |
2-Ethylbutyric acid |
CAS: |
88-09-5 |
Synonyms: |
2-ethylbutanoic acid |
IUPAC Name: | 2-ethylbutanoic acid |
Description: | 2-Ethylbutyric acid (CAS# 88-09-5) is a useful research chemical. |
Molecular Weight: | 116.16 |
Molecular Formula: | C6H12O2 |
Canonical SMILES: | CCC(CC)C(=O)O |
InChI: | InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
InChI Key: | OXQGTIUCKGYOAA-UHFFFAOYSA-N |
Boiling Point: | 99-101 °C (18 mmHg) |
Melting Point: | -14 °C |
Flash Point: | 87°C |
Purity: | 98 % |
Density: | 0.924 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. |
MDL: | MFCD00002670 |
LogP: | 1.50720 |
Refractive Index: | 1.412-1.414 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.18 [mmHg] |
GHS Hazard Statement: | H311 (97.33%): Toxic in contact with skin [Danger Acute toxicity, dermal] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P312, P322, P337+P313, P361, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3838281-A1 | Compositions comprising bacterial strains | 20191220 |
WO-2021122055-A1 | Conductive nanocomposites which can be functionalized | 20191220 |
WO-2021123378-A1 | Compositions comprising bacterial strains | 20191220 |
WO-2021124948-A1 | Intermediate film for laminated glass, and laminated glass | 20191219 |
WO-2021122800-A1 | A formulation for use in an aerosol-generating system | 20191218 |
PMID | Publication Date | Title | Journal |
22457771 | 20120101 | Blueberry husks and probiotics attenuate colorectal inflammation and oncogenesis, and liver injuries in rats exposed to cycling DSS-treatment | PloS one |
21107976 | 20110301 | Application of headspace solid-phase microextraction followed by gas chromatography-mass spectrometry to determine short-chain alkane monocarboxylic acids in aqueous samples | Analytical and bioanalytical chemistry |
22007198 | 20110101 | Colorectal Oncogenesis and Inflammation in a Rat Model Based on Chronic Inflammation due to Cycling DSS Treatments | Gastroenterology research and practice |
22022302 | 20110101 | A water-soluble fraction from a by-product of wheat increases the formation of propionic acid in rats compared with diets based on other by-product fractions and oligofructose | Food & nutrition research |
21694848 | 20100101 | Intestinal fermentation in patients with self-reported food hypersensitivity: painful, but protective? | Clinical and experimental gastroenterology |
Complexity: | 74.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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