4-Pentyn-1-ol - CAS 5390-04-5
Catalog: |
BB028389 |
Product Name: |
4-Pentyn-1-ol |
CAS: |
5390-04-5 |
Synonyms: |
(3-Hydroxypropyl)acetylene; 1-Hydroxy-4-pentyne; 1-Pentyn-5-ol; 5-Hydroxy-1-pentyne; NSC 5274; Pent-4-yne-1-ol; Pentyne alcohol |
IUPAC Name: | pent-4-yn-1-ol |
Description: | 4-Pentyn-1-ol (CAS# 5390-04-5) is an alkyne alcohol that is used as an initiator in ring-opening polymerization reactions. 4-Pentyn-1-ol is capable of undergoing cyclosisomerization, and is also used as a reactant in the synthesis of (+)-Serinolamide A, a cannabinoid CB1 receptor agonist. |
Molecular Weight: | 84.12 |
Molecular Formula: | C5H8O |
Canonical SMILES: | C#CCCCO |
InChI: | InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2 |
InChI Key: | CRWVOXFUXPYTRK-UHFFFAOYSA-N |
Boiling Point: | 154°C |
Purity: | ≥95% |
Density: | 0.909 g/cm3 |
Solubility: | Soluble in Chloroform, Methanol |
Appearance: | Clear Colourless to Pale Yellow Oily Matter |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00002974 |
LogP: | 0.39210 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20658260 | 20100901 | Identification of the sex pheromone of a protected species, the Spanish moon moth Graellsia isabellae | Journal of chemical ecology |
20023885 | 20091221 | 1,1,3,3-Tetramethylguanidine solvated lanthanide aryloxides: pre-catalysts for intramolecular hydroalkoxylation | Dalton transactions (Cambridge, England : 2003) |
18570390 | 20080701 | Low-density lipoprotein has an enormous capacity to bind (E)-4-hydroxynon-2-enal (HNE): detection and characterization of lysyl and histidyl adducts containing multiple molecules of HNE | Chemical research in toxicology |
17966998 | 20071122 | Structural and conformational properties of 4-Pentyn-1-ol as studied by microwave spectroscopy and quantum chemical calculations | The journal of physical chemistry. A |
17523658 | 20070622 | Toward the synthesis of norzoanthamine: complete fragment assembly | The Journal of organic chemistry |
Complexity: | 57.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 84.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 84.057514874 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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