1-Octen-3-yl Acetate - CAS 2442-10-6
Catalog: |
BB018470 |
Product Name: |
1-Octen-3-yl Acetate |
CAS: |
2442-10-6 |
Synonyms: |
1-Octen-3-ol, 3-acetate; 1-Octen-3-ol, acetate; 1-Octenyl-3-yl acetate; 1-Pentylallyl acetate; 3-Acetoxy-1-octene; Amylvinylcarbinol acetate; acetic acid oct-1-en-3-yl ester |
Related CAS: | 74072-82-5 (Deleted CAS) 1629672-62-3 (Deleted CAS)
|
IUPAC Name: | oct-1-en-3-yl acetate |
Description: | 1-Octen-3-yl Acetate (CAS# 2442-10-6) is an iron chelating agent used in therapy for patients with sickle cell diseases and iron overload. Studies suggest that it can exert potential antioxidant neuroprotective effects in stroke patients. |
Molecular Weight: | 170.25 |
Molecular Formula: | C10H18O2 |
Canonical SMILES: | CCCCCC(C=C)OC(=O)C |
InChI: | InChI=1S/C10H18O2/c1-4-6-7-8-10(5-2)12-9(3)11/h5,10H,2,4,6-8H2,1,3H3 |
InChI Key: | DOJDQRFOTHOBEK-UHFFFAOYSA-N |
Boiling Point: | 79-80°C at 12 Torr |
Flash Point: | 78.6°C |
Purity: | ≥95% |
Density: | 0.8733 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless to pale yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00036568 |
LogP: | 2.68440 |
Refractive Index: | 1.420 : 1.425 at 20 deg C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021122684-A1 | Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals | 20191220 |
EP-3838882-A1 | 2,4-diethylocta-2,6-dienal and its use as aroma chemical | 20191218 |
WO-2021122674-A1 | 2,4-diethylocta-2,6-dienal and its use as aroma chemical | 20191218 |
EP-3838895-A1 | Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and use thereof as aroma chemicals | 20191216 |
WO-2021122558-A1 | Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and use thereof as aroma chemicals | 20191216 |
PMID | Publication Date | Title | Journal |
22500291 | 20120401 | Acaricidal activities of the active component of Lycopus lucidus oil and its derivatives against house dust and stored food mites (Arachnida: Acari) | Pest management science |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.130679813 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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