4-Ethyloctanoic Acid - CAS 16493-80-4
Catalog: |
BB012150 |
Product Name: |
4-Ethyloctanoic Acid |
CAS: |
16493-80-4 |
Synonyms: |
4-ethyloctanoic acid; 4-ethyloctanoic acid |
IUPAC Name: | 4-ethyloctanoic acid |
Description: | 4-Ethyloctanoic Acid (CAS# 16493-80-4) is a useful research chemical. |
Molecular Weight: | 172.26 |
Molecular Formula: | C10H20O2 |
Canonical SMILES: | CCCCC(CC)CCC(=O)O |
InChI: | InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) |
InChI Key: | PWKJMPFEQOHBAC-UHFFFAOYSA-N |
Boiling Point: | 163 °C |
Purity: | 98% |
Density: | 0.904 g/cm3 |
Solubility: | slightly |
Appearance: | Colorless liquid |
MDL: | MFCD00506494 |
LogP: | 3.06760 |
Refractive Index: | 1.439 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3839025-A1 | Cleaning product | 20191217 |
EP-3839028-A1 | Cleaning product | 20191217 |
US-2021179971-A1 | Cleaning product | 20191217 |
US-2021179980-A1 | Cleaning product | 20191217 |
WO-2021126643-A1 | Cleaning product | 20191217 |
PMID | Publication Date | Title | Journal |
21152328 | 20101025 | Rapid synthesis of flavor compound 4-ethyloctanoic acid under microwave irradiation | International journal of molecular sciences |
20714288 | 20100729 | Synthesis and odor evaluation of five new sulfur-containing ester flavor compounds from 4-ethyloctanoic acid | Molecules (Basel, Switzerland) |
14532698 | 20030901 | Substances derived from 4-ethyl octanoic acid account for primer pheromone activity for the 'male effect' in goats | The Journal of veterinary medical science |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.146329876 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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